(2R)-N-(3-benzhydrylphenyl)azepan-2-amine

C25H28N2 — CID 174873936

IUPAC(2R)-N-(3-benzhydrylphenyl)azepan-2-amine
SMILESc1ccc(C(c2ccccc2)c2cccc(N[C@@H]3CCCCCN3)c2)cc1
InChIInChI=1S/C25H28N2/c1-4-11-20(12-5-1)25(21-13-6-2-7-14-21)22-15-10-16-23(19-22)27-24-17-8-3-9-18-26-24/h1-2,4-7,10-16,19,24-27H,3,8-9,17-18H2/t24-/m1/s1
InChIKeyHMEPCFIEUYRYKW-XMMPIXPASA-N
MW356.51 g/mol
LogP5.77
Rot. Bonds5

About (2R)-N-(3-benzhydrylphenyl)azepan-2-amine

(2R)-N-(3-benzhydrylphenyl)azepan-2-amine (PubChem CID 174873936) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2R)-N-(3-benzhydrylphenyl)azepan-2-amine.

Molecular Properties

Compound Name(2R)-N-(3-benzhydrylphenyl)azepan-2-amine
PubChem CID174873936
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name(2R)-N-(3-benzhydrylphenyl)azepan-2-amine
SMILESc1ccc(C(c2ccccc2)c2cccc(N[C@@H]3CCCCCN3)c2)cc1
InChIInChI=1S/C25H28N2/c1-4-11-20(12-5-1)25(21-13-6-2-7-14-21)22-15-10-16-23(19-22)27-24-17-8-3-9-18-26-24/h1-2,4-7,10-16,19,24-27H,3,8-9,17-18H2/t24-/m1/s1
InChIKeyHMEPCFIEUYRYKW-XMMPIXPASA-N
XLogP5.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-phenylpiperidin-2-amine
CID 67326349
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
[3-(dicyclohexylmethyl)phenyl]hydrazine
CID 67054818
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
2-benzhydryloxypiperidine
CID 156697683
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-benzhydrylphenyl)azepan-2-amine?
The IUPAC name of (2R)-N-(3-benzhydrylphenyl)azepan-2-amine (CID 174873936) is (2R)-N-(3-benzhydrylphenyl)azepan-2-amine.
What is the SMILES notation for (2R)-N-(3-benzhydrylphenyl)azepan-2-amine?
The canonical SMILES for (2R)-N-(3-benzhydrylphenyl)azepan-2-amine is c1ccc(C(c2ccccc2)c2cccc(N[C@@H]3CCCCCN3)c2)cc1.
What is the InChIKey of (2R)-N-(3-benzhydrylphenyl)azepan-2-amine?
The InChIKey is HMEPCFIEUYRYKW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N2/c1-4-11-20(12-5-1)25(21-13-6-2-7-14-21)22-15-10-16-23(19-22)27-24-17-8-3-9-18-26-24/h1-2,4-7,10-16,19,24-27H,3,8-9,17-18H2/t24-/m1/s1.
What are the key properties of (2R)-N-(3-benzhydrylphenyl)azepan-2-amine?
(2R)-N-(3-benzhydrylphenyl)azepan-2-amine has a molecular weight of 356.51 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-benzhydrylphenyl)azepan-2-amine is sourced from PubChem (CID 174873936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).