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

C15H23ClN2 — CID 84752536

IUPAC2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccccc1Cl)N1CCCCCC1
InChIInChI=1S/C15H23ClN2/c1-15(17,18-10-6-2-3-7-11-18)12-13-8-4-5-9-14(13)16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3
InChIKeySYDNBJKXNRFMEN-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.43
Rot. Bonds3

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

2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine (PubChem CID 84752536) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
PubChem CID84752536
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccccc1Cl)N1CCCCCC1
InChIInChI=1S/C15H23ClN2/c1-15(17,18-10-6-2-3-7-11-18)12-13-8-4-5-9-14(13)16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3
InChIKeySYDNBJKXNRFMEN-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
2-(azepan-1-yl)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 84746800
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
1-(2-chlorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 54919292
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
CID 67811893
3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid
CID 84752355
1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
CID 84748274
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine?
The IUPAC name of 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine (CID 84752536) is 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine?
The canonical SMILES for 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine is CC(N)(Cc1ccccc1Cl)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine?
The InChIKey is SYDNBJKXNRFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(17,18-10-6-2-3-7-11-18)12-13-8-4-5-9-14(13)16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine?
2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.43, 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)-1-(2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 84752536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).