[3-(4-ethylcycloheptyl)phenyl]methanamine

C16H25N — CID 123307972

IUPAC[3-(4-ethylcycloheptyl)phenyl]methanamine
SMILESCCC1CCCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C16H25N/c1-2-13-5-3-7-15(10-9-13)16-8-4-6-14(11-16)12-17/h4,6,8,11,13,15H,2-3,5,7,9-10,12,17H2,1H3
InChIKeyURAYKOUUENCURN-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds3

About [3-(4-ethylcycloheptyl)phenyl]methanamine

[3-(4-ethylcycloheptyl)phenyl]methanamine (PubChem CID 123307972) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is [3-(4-ethylcycloheptyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-ethylcycloheptyl)phenyl]methanamine
PubChem CID123307972
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name[3-(4-ethylcycloheptyl)phenyl]methanamine
SMILESCCC1CCCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C16H25N/c1-2-13-5-3-7-15(10-9-13)16-8-4-6-14(11-16)12-17/h4,6,8,11,13,15H,2-3,5,7,9-10,12,17H2,1H3
InChIKeyURAYKOUUENCURN-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [3-(4-ethylcycloheptyl)phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylcycloheptyl)phenyl]methanamine?
The IUPAC name of [3-(4-ethylcycloheptyl)phenyl]methanamine (CID 123307972) is [3-(4-ethylcycloheptyl)phenyl]methanamine.
What is the SMILES notation for [3-(4-ethylcycloheptyl)phenyl]methanamine?
The canonical SMILES for [3-(4-ethylcycloheptyl)phenyl]methanamine is CCC1CCCC(c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(4-ethylcycloheptyl)phenyl]methanamine?
The InChIKey is URAYKOUUENCURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-13-5-3-7-15(10-9-13)16-8-4-6-14(11-16)12-17/h4,6,8,11,13,15H,2-3,5,7,9-10,12,17H2,1H3.
What are the key properties of [3-(4-ethylcycloheptyl)phenyl]methanamine?
[3-(4-ethylcycloheptyl)phenyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylcycloheptyl)phenyl]methanamine is sourced from PubChem (CID 123307972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).