2-benzhydryl-3,3-diphenylpropan-1-amine

C28H27N — CID 139723407

IUPAC2-benzhydryl-3,3-diphenylpropan-1-amine
SMILESNCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27N/c29-21-26(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21,29H2
InChIKeyMGEQVJIBVKUYAR-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.23
Rot. Bonds7

About 2-benzhydryl-3,3-diphenylpropan-1-amine

2-benzhydryl-3,3-diphenylpropan-1-amine (PubChem CID 139723407) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-benzhydryl-3,3-diphenylpropan-1-amine.

Molecular Properties

Compound Name2-benzhydryl-3,3-diphenylpropan-1-amine
PubChem CID139723407
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name2-benzhydryl-3,3-diphenylpropan-1-amine
SMILESNCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27N/c29-21-26(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21,29H2
InChIKeyMGEQVJIBVKUYAR-UHFFFAOYSA-N
XLogP6.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-triphenylpropan-1-amine
CID 11781172
3,3-diphenylpropane-1,2-diamine;dihydrochloride
CID 141351446
12-benzhydryl-13,13-diphenyltridecan-1-amine
CID 139723736
18-benzhydryl-19,19-diphenylnonadecan-1-amine
CID 139723589
8-benzhydryl-9,9-diphenylnonan-1-amine
CID 139723946
2-fluoro-3-phenylbutan-1-amine
CID 126843894
(2S)-2-benzhydrylbut-3-en-1-amine
CID 130410614
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
(1S)-1,2,2-triphenylethanol
CID 38988933
3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol
CID 82094931

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3,3-diphenylpropan-1-amine?
The IUPAC name of 2-benzhydryl-3,3-diphenylpropan-1-amine (CID 139723407) is 2-benzhydryl-3,3-diphenylpropan-1-amine.
What is the SMILES notation for 2-benzhydryl-3,3-diphenylpropan-1-amine?
The canonical SMILES for 2-benzhydryl-3,3-diphenylpropan-1-amine is NCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-3,3-diphenylpropan-1-amine?
The InChIKey is MGEQVJIBVKUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c29-21-26(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21,29H2.
What are the key properties of 2-benzhydryl-3,3-diphenylpropan-1-amine?
2-benzhydryl-3,3-diphenylpropan-1-amine has a molecular weight of 377.53 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3,3-diphenylpropan-1-amine is sourced from PubChem (CID 139723407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).