2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine

C16H26N2 — CID 63622557

IUPAC2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CCCC(C)CC1
InChIInChI=1S/C16H26N2/c1-13-6-5-10-18(11-9-13)16(12-17)15-8-4-3-7-14(15)2/h3-4,7-8,13,16H,5-6,9-12,17H2,1-2H3
InChIKeyRMIHUEPDPVVIGC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds3

About 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine

2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 63622557) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
PubChem CID63622557
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CCCC(C)CC1
InChIInChI=1S/C16H26N2/c1-13-6-5-10-18(11-9-13)16(12-17)15-8-4-3-7-14(15)2/h3-4,7-8,13,16H,5-6,9-12,17H2,1-2H3
InChIKeyRMIHUEPDPVVIGC-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine 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

(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62331932
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900
1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018369
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
CID 43581361
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine (CID 63622557) is 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)N1CCCC(C)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is RMIHUEPDPVVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-5-10-18(11-9-13)16(12-17)15-8-4-3-7-14(15)2/h3-4,7-8,13,16H,5-6,9-12,17H2,1-2H3.
What are the key properties of 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine?
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63622557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).