1-[2-(4-chlorophenyl)ethyl]-4-methylazepane

C15H22ClN — CID 166314408

IUPAC1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
SMILESCC1CCCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN/c1-13-3-2-10-17(11-8-13)12-9-14-4-6-15(16)7-5-14/h4-7,13H,2-3,8-12H2,1H3
InChIKeyFOHCYYWDBWOZTM-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.00
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane

1-[2-(4-chlorophenyl)ethyl]-4-methylazepane (PubChem CID 166314408) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
PubChem CID166314408
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
SMILESCC1CCCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN/c1-13-3-2-10-17(11-8-13)12-9-14-4-6-15(16)7-5-14/h4-7,13H,2-3,8-12H2,1H3
InChIKeyFOHCYYWDBWOZTM-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane 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-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
CID 139776343
2-[2-(4-chlorophenyl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925920
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane (CID 166314408) is 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane is CC1CCCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane?
The InChIKey is FOHCYYWDBWOZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-13-3-2-10-17(11-8-13)12-9-14-4-6-15(16)7-5-14/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane?
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane has a molecular weight of 251.80 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-4-methylazepane is sourced from PubChem (CID 166314408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).