[2-(2-ethylazepan-1-yl)phenyl]methanamine

C15H24N2 — CID 104688934

IUPAC[2-(2-ethylazepan-1-yl)phenyl]methanamine
SMILESCCC1CCCCCN1c1ccccc1CN
InChIInChI=1S/C15H24N2/c1-2-14-9-4-3-7-11-17(14)15-10-6-5-8-13(15)12-16/h5-6,8,10,14H,2-4,7,9,11-12,16H2,1H3
InChIKeyJWPSWQZLSJPSIV-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.30
Rot. Bonds3

About [2-(2-ethylazepan-1-yl)phenyl]methanamine

[2-(2-ethylazepan-1-yl)phenyl]methanamine (PubChem CID 104688934) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)phenyl]methanamine
PubChem CID104688934
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[2-(2-ethylazepan-1-yl)phenyl]methanamine
SMILESCCC1CCCCCN1c1ccccc1CN
InChIInChI=1S/C15H24N2/c1-2-14-9-4-3-7-11-17(14)15-10-6-5-8-13(15)12-16/h5-6,8,10,14H,2-4,7,9,11-12,16H2,1H3
InChIKeyJWPSWQZLSJPSIV-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
CID 107105560
2-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)phenyl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)phenyl]methanamine (CID 104688934) is [2-(2-ethylazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)phenyl]methanamine is CCC1CCCCCN1c1ccccc1CN.
What is the InChIKey of [2-(2-ethylazepan-1-yl)phenyl]methanamine?
The InChIKey is JWPSWQZLSJPSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-14-9-4-3-7-11-17(14)15-10-6-5-8-13(15)12-16/h5-6,8,10,14H,2-4,7,9,11-12,16H2,1H3.
What are the key properties of [2-(2-ethylazepan-1-yl)phenyl]methanamine?
[2-(2-ethylazepan-1-yl)phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 104688934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).