N-(3-chlorophenyl)azepan-4-amine

C12H17ClN2 — CID 105482710

IUPACN-(3-chlorophenyl)azepan-4-amine
SMILESClc1cccc(NC2CCCNCC2)c1
InChIInChI=1S/C12H17ClN2/c13-10-3-1-4-12(9-10)15-11-5-2-7-14-8-6-11/h1,3-4,9,11,14-15H,2,5-8H2
InChIKeyCSECJHIORVBNJR-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.89
Rot. Bonds2

About N-(3-chlorophenyl)azepan-4-amine

N-(3-chlorophenyl)azepan-4-amine (PubChem CID 105482710) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)azepan-4-amine
PubChem CID105482710
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-(3-chlorophenyl)azepan-4-amine
SMILESClc1cccc(NC2CCCNCC2)c1
InChIInChI=1S/C12H17ClN2/c13-10-3-1-4-12(9-10)15-11-5-2-7-14-8-6-11/h1,3-4,9,11,14-15H,2,5-8H2
InChIKeyCSECJHIORVBNJR-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
3-(azepan-4-ylamino)benzoic acid
CID 103980877
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
N-(3,5-dichloro-4-fluorophenyl)azepan-4-amine
CID 107572825
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
N-(azepan-4-yl)-1H-indol-5-amine
CID 113361399
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)azepan-4-amine?
The IUPAC name of N-(3-chlorophenyl)azepan-4-amine (CID 105482710) is N-(3-chlorophenyl)azepan-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)azepan-4-amine?
The canonical SMILES for N-(3-chlorophenyl)azepan-4-amine is Clc1cccc(NC2CCCNCC2)c1.
What is the InChIKey of N-(3-chlorophenyl)azepan-4-amine?
The InChIKey is CSECJHIORVBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-10-3-1-4-12(9-10)15-11-5-2-7-14-8-6-11/h1,3-4,9,11,14-15H,2,5-8H2.
What are the key properties of N-(3-chlorophenyl)azepan-4-amine?
N-(3-chlorophenyl)azepan-4-amine has a molecular weight of 224.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)azepan-4-amine is sourced from PubChem (CID 105482710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).