N-(2-benzylphenyl)azepan-4-amine

C19H24N2 — CID 103980459

IUPACN-(2-benzylphenyl)azepan-4-amine
SMILESc1ccc(Cc2ccccc2NC2CCCNCC2)cc1
InChIInChI=1S/C19H24N2/c1-2-7-16(8-3-1)15-17-9-4-5-11-19(17)21-18-10-6-13-20-14-12-18/h1-5,7-9,11,18,20-21H,6,10,12-15H2
InChIKeyVUDTYGAIBNYBLW-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.83
Rot. Bonds4

About N-(2-benzylphenyl)azepan-4-amine

N-(2-benzylphenyl)azepan-4-amine (PubChem CID 103980459) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(2-benzylphenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-benzylphenyl)azepan-4-amine
PubChem CID103980459
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-(2-benzylphenyl)azepan-4-amine
SMILESc1ccc(Cc2ccccc2NC2CCCNCC2)cc1
InChIInChI=1S/C19H24N2/c1-2-7-16(8-3-1)15-17-9-4-5-11-19(17)21-18-10-6-13-20-14-12-18/h1-5,7-9,11,18,20-21H,6,10,12-15H2
InChIKeyVUDTYGAIBNYBLW-UHFFFAOYSA-N
XLogP3.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509
N-(2-propylphenyl)piperidin-4-amine
CID 61016872
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
CID 103981459
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
N-[2-(difluoromethylsulfanyl)phenyl]azepan-4-amine
CID 103980412
5-(azepan-4-ylamino)naphthalen-1-ol
CID 103981451
N-(2-ethylphenyl)azepan-3-amine
CID 102076155
2-(chloromethyl)-N-cyclopropylaniline
CID 175153932
N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
CID 103981634
4-benzyl-1-N,3-N-dicyclohexyl-2-methylbenzene-1,3-diamine
CID 70996439

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)azepan-4-amine?
The IUPAC name of N-(2-benzylphenyl)azepan-4-amine (CID 103980459) is N-(2-benzylphenyl)azepan-4-amine.
What is the SMILES notation for N-(2-benzylphenyl)azepan-4-amine?
The canonical SMILES for N-(2-benzylphenyl)azepan-4-amine is c1ccc(Cc2ccccc2NC2CCCNCC2)cc1.
What is the InChIKey of N-(2-benzylphenyl)azepan-4-amine?
The InChIKey is VUDTYGAIBNYBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-7-16(8-3-1)15-17-9-4-5-11-19(17)21-18-10-6-13-20-14-12-18/h1-5,7-9,11,18,20-21H,6,10,12-15H2.
What are the key properties of N-(2-benzylphenyl)azepan-4-amine?
N-(2-benzylphenyl)azepan-4-amine has a molecular weight of 280.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)azepan-4-amine is sourced from PubChem (CID 103980459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).