N-benzhydryl-1,2-diphenylethanamine

C27H25N — CID 101366117

IUPACN-benzhydryl-1,2-diphenylethanamine
SMILESc1ccc(CC(NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23)28-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21H2
InChIKeyKGFJLAQYZFSLNM-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.35
Rot. Bonds7

About N-benzhydryl-1,2-diphenylethanamine

N-benzhydryl-1,2-diphenylethanamine (PubChem CID 101366117) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is N-benzhydryl-1,2-diphenylethanamine.

Molecular Properties

Compound NameN-benzhydryl-1,2-diphenylethanamine
PubChem CID101366117
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC NameN-benzhydryl-1,2-diphenylethanamine
SMILESc1ccc(CC(NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23)28-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21H2
InChIKeyKGFJLAQYZFSLNM-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine
CID 163660607
N-(1,2-diphenylethyl)but-3-yn-2-amine
CID 114414977
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
1,2-diphenylethylurea
CID 2853470
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,2-diphenylethanamine?
The IUPAC name of N-benzhydryl-1,2-diphenylethanamine (CID 101366117) is N-benzhydryl-1,2-diphenylethanamine.
What is the SMILES notation for N-benzhydryl-1,2-diphenylethanamine?
The canonical SMILES for N-benzhydryl-1,2-diphenylethanamine is c1ccc(CC(NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-1,2-diphenylethanamine?
The InChIKey is KGFJLAQYZFSLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23)28-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21H2.
What are the key properties of N-benzhydryl-1,2-diphenylethanamine?
N-benzhydryl-1,2-diphenylethanamine has a molecular weight of 363.50 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,2-diphenylethanamine is sourced from PubChem (CID 101366117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).