4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine

C40H62F3N5O — CID 162218227

IUPAC4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(F)cc(C(C)C)c1N.Cc1cc(F)cc(C(C)C)c1NCCN(C)C.Cc1cc(F)cc(C(C)C)c1NCCN1CCOCC1
InChIInChI=1S/C16H25FN2O.C14H23FN2.C10H14FN/c1-12(2)15-11-14(17)10-13(3)16(15)18-4-5-19-6-8-20-9-7-19;1-10(2)13-9-12(15)8-11(3)14(13)16-6-7-17(4)5;1-6(2)9-5-8(11)4-7(3)10(9)12/h10-12,18H,4-9H2,1-3H3;8-10,16H,6-7H2,1-5H3;4-6H,12H2,1-3H3
InChIKeyZTTMNFLTIADDNQ-UHFFFAOYSA-N
MW685.96 g/mol
LogP9.07
Rot. Bonds11

About 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine

4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 162218227) has the molecular formula C40H62F3N5O and a molecular weight of 685.96 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID162218227
Molecular FormulaC40H62F3N5O
Molecular Weight685.96 g/mol
Exact Mass685.49
IUPAC Name4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(F)cc(C(C)C)c1N.Cc1cc(F)cc(C(C)C)c1NCCN(C)C.Cc1cc(F)cc(C(C)C)c1NCCN1CCOCC1
InChIInChI=1S/C16H25FN2O.C14H23FN2.C10H14FN/c1-12(2)15-11-14(17)10-13(3)16(15)18-4-5-19-6-8-20-9-7-19;1-10(2)13-9-12(15)8-11(3)14(13)16-6-7-17(4)5;1-6(2)9-5-8(11)4-7(3)10(9)12/h10-12,18H,4-9H2,1-3H3;8-10,16H,6-7H2,1-5H3;4-6H,12H2,1-3H3
InChIKeyZTTMNFLTIADDNQ-UHFFFAOYSA-N
XLogP9.07
TPSA65.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 59.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913122
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
3-chloro-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium;N',N'-dimethyl-N-(7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine;7-methyl-N-(2-morpholin-4-ylethyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-methyl-1-oxido-N-(2-piperidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine
CID 158337126
5-N-(2-morpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363693
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 162218227) is 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine is Cc1cc(F)cc(C(C)C)c1N.Cc1cc(F)cc(C(C)C)c1NCCN(C)C.Cc1cc(F)cc(C(C)C)c1NCCN1CCOCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ZTTMNFLTIADDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O.C14H23FN2.C10H14FN/c1-12(2)15-11-14(17)10-13(3)16(15)18-4-5-19-6-8-20-9-7-19;1-10(2)13-9-12(15)8-11(3)14(13)16-6-7-17(4)5;1-6(2)9-5-8(11)4-7(3)10(9)12/h10-12,18H,4-9H2,1-3H3;8-10,16H,6-7H2,1-5H3;4-6H,12H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine?
4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 685.96 g/mol, XLogP of 9.07, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)-6-propan-2-ylaniline;4-fluoro-2-methyl-6-propan-2-ylaniline;N-(4-fluoro-2-methyl-6-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162218227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).