4-ethyl-N-phenylcycloheptan-1-amine

C15H23N — CID 65082236

IUPAC4-ethyl-N-phenylcycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccccc2)CC1
InChIInChI=1S/C15H23N/c1-2-13-7-6-10-15(12-11-13)16-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,2,6-7,10-12H2,1H3
InChIKeyGBNGHJHLEHVFQW-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.46
Rot. Bonds3

About 4-ethyl-N-phenylcycloheptan-1-amine

4-ethyl-N-phenylcycloheptan-1-amine (PubChem CID 65082236) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-ethyl-N-phenylcycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-phenylcycloheptan-1-amine
PubChem CID65082236
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-ethyl-N-phenylcycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccccc2)CC1
InChIInChI=1S/C15H23N/c1-2-13-7-6-10-15(12-11-13)16-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,2,6-7,10-12H2,1H3
InChIKeyGBNGHJHLEHVFQW-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-N-phenylcycloheptan-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

4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
2-[4-[(4-ethylcycloheptyl)amino]phenyl]acetonitrile
CID 65084249
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
CID 65083155
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
N-cyclopropylaniline;hydrochloride
CID 44717153
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol
CID 65083215

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-phenylcycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-phenylcycloheptan-1-amine (CID 65082236) is 4-ethyl-N-phenylcycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-phenylcycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-phenylcycloheptan-1-amine is CCC1CCCC(Nc2ccccc2)CC1.
What is the InChIKey of 4-ethyl-N-phenylcycloheptan-1-amine?
The InChIKey is GBNGHJHLEHVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-13-7-6-10-15(12-11-13)16-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,2,6-7,10-12H2,1H3.
What are the key properties of 4-ethyl-N-phenylcycloheptan-1-amine?
4-ethyl-N-phenylcycloheptan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-phenylcycloheptan-1-amine is sourced from PubChem (CID 65082236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).