N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine

C147H221N19O5 — CID 159289767

IUPACN,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(-n2ccnc2)cc1.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(CN2CCOCC2)cc1.Cc1ccc(N(C)C2CCN(C)CC2)cc1.Cc1ccc(N(C)CCN(C)C)cc1.Cc1ccc(N2CCCN(C)CC2)cc1.Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cc1ccc(NC2CCN(C)CC2)cc1.Cc1ccc(NCCN(C)C)cc1.Cc1ccc(OC2CCN(C)CC2)cc1.Cc1ccc(OCCCN(C)C)cc1.Cc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C14H22N2.3C13H20N2.2C13H19NO.C12H20N2.C12H17NO.C12H19NO.C11H18N2.C11H17NO.C10H10N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14;1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-11-3-5-12(6-4-11)14-13-7-9-15(2)10-8-13;1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14;1-11-3-5-12(6-4-11)15-13-7-9-14(2)10-8-13;1-11-5-7-12(8-6-11)14(4)10-9-13(2)3;1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;1-11-5-7-12(8-6-11)14-10-4-9-13(2)3;1-10-4-6-11(7-5-10)12-8-9-13(2)3;1-10-4-6-11(7-5-10)13-9-8-12(2)3;1-9-2-4-10(5-3-9)12-7-6-11-8-12/h4-7,14H,8-11H2,1-3H3;4-7H,3,8-11H2,1-2H3;3-6H,7-11H2,1-2H3;3-6,13-14H,7-10H2,1-2H3;4-7,11-12H,8-9H2,1-3H3;3-6,13H,7-10H2,1-2H3;5-8H,9-10H2,1-4H3;2-5H,6-10H2,1H3;5-8H,4,9-10H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2-8H,1H3/t;;;;11-,12+;;;;;;;
InChIKeyKZYSRAKRGPBGKR-BEZKGZLZSA-N
MW2334.51 g/mol
LogP26.21
Rot. Bonds30

About N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine

N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 159289767) has the molecular formula C147H221N19O5 and a molecular weight of 2334.51 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID159289767
Molecular FormulaC147H221N19O5
Molecular Weight2334.51 g/mol
Exact Mass2332.76
IUPAC NameN,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(-n2ccnc2)cc1.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(CN2CCOCC2)cc1.Cc1ccc(N(C)C2CCN(C)CC2)cc1.Cc1ccc(N(C)CCN(C)C)cc1.Cc1ccc(N2CCCN(C)CC2)cc1.Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cc1ccc(NC2CCN(C)CC2)cc1.Cc1ccc(NCCN(C)C)cc1.Cc1ccc(OC2CCN(C)CC2)cc1.Cc1ccc(OCCCN(C)C)cc1.Cc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C14H22N2.3C13H20N2.2C13H19NO.C12H20N2.C12H17NO.C12H19NO.C11H18N2.C11H17NO.C10H10N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14;1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-11-3-5-12(6-4-11)14-13-7-9-15(2)10-8-13;1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14;1-11-3-5-12(6-4-11)15-13-7-9-14(2)10-8-13;1-11-5-7-12(8-6-11)14(4)10-9-13(2)3;1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;1-11-5-7-12(8-6-11)14-10-4-9-13(2)3;1-10-4-6-11(7-5-10)12-8-9-13(2)3;1-10-4-6-11(7-5-10)13-9-8-12(2)3;1-9-2-4-10(5-3-9)12-7-6-11-8-12/h4-7,14H,8-11H2,1-3H3;4-7H,3,8-11H2,1-2H3;3-6H,7-11H2,1-2H3;3-6,13-14H,7-10H2,1-2H3;4-7,11-12H,8-9H2,1-3H3;3-6,13H,7-10H2,1-2H3;5-8H,9-10H2,1-4H3;2-5H,6-10H2,1H3;5-8H,4,9-10H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2-8H,1H3/t;;;;11-,12+;;;;;;;
InChIKeyKZYSRAKRGPBGKR-BEZKGZLZSA-N
XLogP26.21
TPSA136.63 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.51
LogP ≤ 526.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine (CID 159289767) is N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(-n2ccnc2)cc1.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(CN2CCOCC2)cc1.Cc1ccc(N(C)C2CCN(C)CC2)cc1.Cc1ccc(N(C)CCN(C)C)cc1.Cc1ccc(N2CCCN(C)CC2)cc1.Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cc1ccc(NC2CCN(C)CC2)cc1.Cc1ccc(NCCN(C)C)cc1.Cc1ccc(OC2CCN(C)CC2)cc1.Cc1ccc(OCCCN(C)C)cc1.Cc1ccc(OCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is KZYSRAKRGPBGKR-BEZKGZLZSA-N. The full InChI is InChI=1S/C14H22N2.3C13H20N2.2C13H19NO.C12H20N2.C12H17NO.C12H19NO.C11H18N2.C11H17NO.C10H10N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14;1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-11-3-5-12(6-4-11)14-13-7-9-15(2)10-8-13;1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14;1-11-3-5-12(6-4-11)15-13-7-9-14(2)10-8-13;1-11-5-7-12(8-6-11)14(4)10-9-13(2)3;1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;1-11-5-7-12(8-6-11)14-10-4-9-13(2)3;1-10-4-6-11(7-5-10)12-8-9-13(2)3;1-10-4-6-11(7-5-10)13-9-8-12(2)3;1-9-2-4-10(5-3-9)12-7-6-11-8-12/h4-7,14H,8-11H2,1-3H3;4-7H,3,8-11H2,1-2H3;3-6H,7-11H2,1-2H3;3-6,13-14H,7-10H2,1-2H3;4-7,11-12H,8-9H2,1-3H3;3-6,13H,7-10H2,1-2H3;5-8H,9-10H2,1-4H3;2-5H,6-10H2,1H3;5-8H,4,9-10H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2-8H,1H3/t;;;;11-,12+;;;;;;;.
What are the key properties of N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 2334.51 g/mol, XLogP of 26.21, 30 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 159289767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).