2-benzhydryl-1,1-diphenylbutane-2,3-diamine

C29H30N2 — CID 175268685

IUPAC2-benzhydryl-1,1-diphenylbutane-2,3-diamine
SMILESCC(N)C(N)(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2/c1-22(30)29(31,27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27-28H,30-31H2,1H3
InChIKeyVGZOWOJXQBHXNI-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.70
Rot. Bonds7

About 2-benzhydryl-1,1-diphenylbutane-2,3-diamine

2-benzhydryl-1,1-diphenylbutane-2,3-diamine (PubChem CID 175268685) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-benzhydryl-1,1-diphenylbutane-2,3-diamine.

Molecular Properties

Compound Name2-benzhydryl-1,1-diphenylbutane-2,3-diamine
PubChem CID175268685
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name2-benzhydryl-1,1-diphenylbutane-2,3-diamine
SMILESCC(N)C(N)(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2/c1-22(30)29(31,27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27-28H,30-31H2,1H3
InChIKeyVGZOWOJXQBHXNI-UHFFFAOYSA-N
XLogP5.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
CID 173440563
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
ethane;(1R)-1-phenylethanamine
CID 142977390
chloromethane;cumene;ethane
CID 160847695
CID 174377533
CID 174377533
1-phenylethanethiol;hydrobromide
CID 173223511
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1,1-diphenylbutane-2,3-diamine?
The IUPAC name of 2-benzhydryl-1,1-diphenylbutane-2,3-diamine (CID 175268685) is 2-benzhydryl-1,1-diphenylbutane-2,3-diamine.
What is the SMILES notation for 2-benzhydryl-1,1-diphenylbutane-2,3-diamine?
The canonical SMILES for 2-benzhydryl-1,1-diphenylbutane-2,3-diamine is CC(N)C(N)(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-1,1-diphenylbutane-2,3-diamine?
The InChIKey is VGZOWOJXQBHXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-22(30)29(31,27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27-28H,30-31H2,1H3.
What are the key properties of 2-benzhydryl-1,1-diphenylbutane-2,3-diamine?
2-benzhydryl-1,1-diphenylbutane-2,3-diamine has a molecular weight of 406.57 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1,1-diphenylbutane-2,3-diamine is sourced from PubChem (CID 175268685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).