[2-(azepan-1-yl)-5-phenylphenyl]methanamine

C19H24N2 — CID 118138819

IUPAC[2-(azepan-1-yl)-5-phenylphenyl]methanamine
SMILESNCc1cc(-c2ccccc2)ccc1N1CCCCCC1
InChIInChI=1S/C19H24N2/c20-15-18-14-17(16-8-4-3-5-9-16)10-11-19(18)21-12-6-1-2-7-13-21/h3-5,8-11,14H,1-2,6-7,12-13,15,20H2
InChIKeyDNXLYKQVJFWHDV-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.19
Rot. Bonds3

About [2-(azepan-1-yl)-5-phenylphenyl]methanamine

[2-(azepan-1-yl)-5-phenylphenyl]methanamine (PubChem CID 118138819) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [2-(azepan-1-yl)-5-phenylphenyl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-5-phenylphenyl]methanamine
PubChem CID118138819
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[2-(azepan-1-yl)-5-phenylphenyl]methanamine
SMILESNCc1cc(-c2ccccc2)ccc1N1CCCCCC1
InChIInChI=1S/C19H24N2/c20-15-18-14-17(16-8-4-3-5-9-16)10-11-19(18)21-12-6-1-2-7-13-21/h3-5,8-11,14H,1-2,6-7,12-13,15,20H2
InChIKeyDNXLYKQVJFWHDV-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-5-phenylphenyl]methanamine?
The IUPAC name of [2-(azepan-1-yl)-5-phenylphenyl]methanamine (CID 118138819) is [2-(azepan-1-yl)-5-phenylphenyl]methanamine.
What is the SMILES notation for [2-(azepan-1-yl)-5-phenylphenyl]methanamine?
The canonical SMILES for [2-(azepan-1-yl)-5-phenylphenyl]methanamine is NCc1cc(-c2ccccc2)ccc1N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-5-phenylphenyl]methanamine?
The InChIKey is DNXLYKQVJFWHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-15-18-14-17(16-8-4-3-5-9-16)10-11-19(18)21-12-6-1-2-7-13-21/h3-5,8-11,14H,1-2,6-7,12-13,15,20H2.
What are the key properties of [2-(azepan-1-yl)-5-phenylphenyl]methanamine?
[2-(azepan-1-yl)-5-phenylphenyl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-5-phenylphenyl]methanamine is sourced from PubChem (CID 118138819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).