1-[2-(azepan-1-yl)phenyl]ethanamine

C14H22N2 — CID 10680362

IUPAC1-[2-(azepan-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1N1CCCCCC1
InChIInChI=1S/C14H22N2/c1-12(15)13-8-4-5-9-14(13)16-10-6-2-3-7-11-16/h4-5,8-9,12H,2-3,6-7,10-11,15H2,1H3
InChIKeyGWJPFDDPRRPBNX-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.09
Rot. Bonds2

About 1-[2-(azepan-1-yl)phenyl]ethanamine

1-[2-(azepan-1-yl)phenyl]ethanamine (PubChem CID 10680362) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)phenyl]ethanamine
PubChem CID10680362
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[2-(azepan-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1N1CCCCCC1
InChIInChI=1S/C14H22N2/c1-12(15)13-8-4-5-9-14(13)16-10-6-2-3-7-11-16/h4-5,8-9,12H,2-3,6-7,10-11,15H2,1H3
InChIKeyGWJPFDDPRRPBNX-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(azepan-1-yl)phenyl]ethanamine (CID 10680362) is 1-[2-(azepan-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(azepan-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(azepan-1-yl)phenyl]ethanamine is CC(N)c1ccccc1N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)phenyl]ethanamine?
The InChIKey is GWJPFDDPRRPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(15)13-8-4-5-9-14(13)16-10-6-2-3-7-11-16/h4-5,8-9,12H,2-3,6-7,10-11,15H2,1H3.
What are the key properties of 1-[2-(azepan-1-yl)phenyl]ethanamine?
1-[2-(azepan-1-yl)phenyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)phenyl]ethanamine is sourced from PubChem (CID 10680362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).