3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine

C15H26N2O — CID 115134578

IUPAC3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCCOc1ccc(N(C)C(C)(C)CCN)cc1C
InChIInChI=1S/C15H26N2O/c1-6-18-14-8-7-13(11-12(14)2)17(5)15(3,4)9-10-16/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyRMKQRCSLQLUSGW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds6

About 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine

3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine (PubChem CID 115134578) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
PubChem CID115134578
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCCOc1ccc(N(C)C(C)(C)CCN)cc1C
InChIInChI=1S/C15H26N2O/c1-6-18-14-8-7-13(11-12(14)2)17(5)15(3,4)9-10-16/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyRMKQRCSLQLUSGW-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304
3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine (CID 115134578) is 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine is CCOc1ccc(N(C)C(C)(C)CCN)cc1C.
What is the InChIKey of 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine?
The InChIKey is RMKQRCSLQLUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-18-14-8-7-13(11-12(14)2)17(5)15(3,4)9-10-16/h7-8,11H,6,9-10,16H2,1-5H3.
What are the key properties of 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine?
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115134578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).