3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine

C15H23ClN2 — CID 82107556

IUPAC3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
SMILESNCC(CN1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c16-15-8-4-3-7-14(15)13(11-17)12-18-9-5-1-2-6-10-18/h3-4,7-8,13H,1-2,5-6,9-12,17H2
InChIKeyHZCBIMUDQBXMBL-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.26
Rot. Bonds4

About 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine

3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine (PubChem CID 82107556) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
PubChem CID82107556
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
SMILESNCC(CN1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c16-15-8-4-3-7-14(15)13(11-17)12-18-9-5-1-2-6-10-18/h3-4,7-8,13H,1-2,5-6,9-12,17H2
InChIKeyHZCBIMUDQBXMBL-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
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CID 106930930
(3S)-4-amino-3-(2-chlorophenyl)butanal
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2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 84752986
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
CID 117243867
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315
3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 82090329

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine (CID 82107556) is 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine is NCC(CN1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine?
The InChIKey is HZCBIMUDQBXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c16-15-8-4-3-7-14(15)13(11-17)12-18-9-5-1-2-6-10-18/h3-4,7-8,13H,1-2,5-6,9-12,17H2.
What are the key properties of 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine?
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine is sourced from PubChem (CID 82107556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).