3-amino-2,3-diphenylbutanenitrile

C16H16N2 — CID 70582958

IUPAC3-amino-2,3-diphenylbutanenitrile
SMILESCC(N)(c1ccccc1)C(C#N)c1ccccc1
InChIInChI=1S/C16H16N2/c1-16(18,14-10-6-3-7-11-14)15(12-17)13-8-4-2-5-9-13/h2-11,15H,18H2,1H3
InChIKeyLGCMDVQPROHOPK-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-2,3-diphenylbutanenitrile

3-amino-2,3-diphenylbutanenitrile (PubChem CID 70582958) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-2,3-diphenylbutanenitrile.

Molecular Properties

Compound Name3-amino-2,3-diphenylbutanenitrile
PubChem CID70582958
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-amino-2,3-diphenylbutanenitrile
SMILESCC(N)(c1ccccc1)C(C#N)c1ccccc1
InChIInChI=1S/C16H16N2/c1-16(18,14-10-6-3-7-11-14)15(12-17)13-8-4-2-5-9-13/h2-11,15H,18H2,1H3
InChIKeyLGCMDVQPROHOPK-UHFFFAOYSA-N
XLogP3.17
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenylbutane-2,3-diamine
CID 175403934
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
ethane;2-phenylpropanenitrile
CID 91366777
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
2-(benzhydrylamino)-2-phenylpropanenitrile
CID 101454893
(3S)-3-amino-3-phenylbutanenitrile
CID 130848361
1,1-diphenylethanamine
CID 12761172
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
3-methyl-2-phenylhexan-2-amine
CID 107892285
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
(2-methyl-3,4-diphenylpentan-2-yl)benzene
CID 173387028

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-diphenylbutanenitrile?
The IUPAC name of 3-amino-2,3-diphenylbutanenitrile (CID 70582958) is 3-amino-2,3-diphenylbutanenitrile.
What is the SMILES notation for 3-amino-2,3-diphenylbutanenitrile?
The canonical SMILES for 3-amino-2,3-diphenylbutanenitrile is CC(N)(c1ccccc1)C(C#N)c1ccccc1.
What is the InChIKey of 3-amino-2,3-diphenylbutanenitrile?
The InChIKey is LGCMDVQPROHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-16(18,14-10-6-3-7-11-14)15(12-17)13-8-4-2-5-9-13/h2-11,15H,18H2,1H3.
What are the key properties of 3-amino-2,3-diphenylbutanenitrile?
3-amino-2,3-diphenylbutanenitrile has a molecular weight of 236.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-diphenylbutanenitrile is sourced from PubChem (CID 70582958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).