N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine

C16H26N2 — CID 117369000

IUPACN-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1C1CCCN(C)CC1
InChIInChI=1S/C16H26N2/c1-17-11-9-14-6-3-4-8-16(14)15-7-5-12-18(2)13-10-15/h3-4,6,8,15,17H,5,7,9-13H2,1-2H3
InChIKeyHEPGQHBYVVGULD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine

N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine (PubChem CID 117369000) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
PubChem CID117369000
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1C1CCCN(C)CC1
InChIInChI=1S/C16H26N2/c1-17-11-9-14-6-3-4-8-16(14)15-7-5-12-18(2)13-10-15/h3-4,6,8,15,17H,5,7,9-13H2,1-2H3
InChIKeyHEPGQHBYVVGULD-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]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

[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
4-[2-(1-methylazepan-4-yl)phenyl]butanoic acid
CID 117440756
4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
CID 58103875
N-methyl-2-[2-(thian-4-yl)phenyl]ethanamine
CID 115006069
4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
CID 12542639
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117365849
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine
CID 117405841
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
3-[2-(1-methylazepan-4-yl)phenyl]butanal
CID 117402999
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine (CID 117369000) is N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine is CNCCc1ccccc1C1CCCN(C)CC1.
What is the InChIKey of N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine?
The InChIKey is HEPGQHBYVVGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-11-9-14-6-3-4-8-16(14)15-7-5-12-18(2)13-10-15/h3-4,6,8,15,17H,5,7,9-13H2,1-2H3.
What are the key properties of N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine?
N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine is sourced from PubChem (CID 117369000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).