1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine

C19H32N2 — CID 63624077

IUPAC1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
SMILESCCc1ccc(C(NC)C(C)N2CCCC(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-5-17-8-10-18(11-9-17)19(20-4)16(3)21-13-6-7-15(2)12-14-21/h8-11,15-16,19-20H,5-7,12-14H2,1-4H3
InChIKeyDMODJIJELCPQRR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine

1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine (PubChem CID 63624077) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
PubChem CID63624077
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
SMILESCCc1ccc(C(NC)C(C)N2CCCC(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-5-17-8-10-18(11-9-17)19(20-4)16(3)21-13-6-7-15(2)12-14-21/h8-11,15-16,19-20H,5-7,12-14H2,1-4H3
InChIKeyDMODJIJELCPQRR-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102965616
2-(2,4-dimethylpiperidin-1-yl)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63469851
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133
N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103532374
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
2-N-cyclopentyl-2-N-ethyl-1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 63468460
N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 81019015
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 79408333
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine (CID 63624077) is 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine is CCc1ccc(C(NC)C(C)N2CCCC(C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine?
The InChIKey is DMODJIJELCPQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17-8-10-18(11-9-17)19(20-4)16(3)21-13-6-7-15(2)12-14-21/h8-11,15-16,19-20H,5-7,12-14H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine?
1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 63624077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).