azepan-2-yl(diphenyl)methanamine

C19H24N2 — CID 69019093

IUPACazepan-2-yl(diphenyl)methanamine
SMILESNC(c1ccccc1)(c1ccccc1)C1CCCCCN1
InChIInChI=1S/C19H24N2/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-21-18/h1-2,4-7,10-13,18,21H,3,8-9,14-15,20H2
InChIKeyWUAMPGKPXMQINX-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.42
Rot. Bonds3

About azepan-2-yl(diphenyl)methanamine

azepan-2-yl(diphenyl)methanamine (PubChem CID 69019093) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is azepan-2-yl(diphenyl)methanamine.

Molecular Properties

Compound Nameazepan-2-yl(diphenyl)methanamine
PubChem CID69019093
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Nameazepan-2-yl(diphenyl)methanamine
SMILESNC(c1ccccc1)(c1ccccc1)C1CCCCCN1
InChIInChI=1S/C19H24N2/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-21-18/h1-2,4-7,10-13,18,21H,3,8-9,14-15,20H2
InChIKeyWUAMPGKPXMQINX-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[difluoro(phenyl)methyl]azepane
CID 105483060
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
cyclohexyl-phenyl-pyrrolidin-2-ylmethanol
CID 166041148
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310
2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine
CID 163995934
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
4-(3-amino-3-oxo-1,1-diphenyl-1-piperidin-2-ylpropan-2-yl)benzoic acid
CID 57117194
cyclohexanamine;diphenylmethanediamine
CID 175293358
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
CID 147642184

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(diphenyl)methanamine?
The IUPAC name of azepan-2-yl(diphenyl)methanamine (CID 69019093) is azepan-2-yl(diphenyl)methanamine.
What is the SMILES notation for azepan-2-yl(diphenyl)methanamine?
The canonical SMILES for azepan-2-yl(diphenyl)methanamine is NC(c1ccccc1)(c1ccccc1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl(diphenyl)methanamine?
The InChIKey is WUAMPGKPXMQINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-21-18/h1-2,4-7,10-13,18,21H,3,8-9,14-15,20H2.
What are the key properties of azepan-2-yl(diphenyl)methanamine?
azepan-2-yl(diphenyl)methanamine has a molecular weight of 280.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(diphenyl)methanamine is sourced from PubChem (CID 69019093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).