(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile

C17H18N2 — CID 10755680

IUPAC(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
SMILESC[C@H](c1ccccc1)[C@H](C#N)NCc1ccccc1
InChIInChI=1S/C17H18N2/c1-14(16-10-6-3-7-11-16)17(12-18)19-13-15-8-4-2-5-9-15/h2-11,14,17,19H,13H2,1H3/t14-,17+/m1/s1
InChIKeyQSTNNYCXLVJCAC-PBHICJAKSA-N
MW250.35 g/mol
LogP3.47
Rot. Bonds5

About (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile

(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile (PubChem CID 10755680) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile.

Molecular Properties

Compound Name(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
PubChem CID10755680
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
SMILESC[C@H](c1ccccc1)[C@H](C#N)NCc1ccccc1
InChIInChI=1S/C17H18N2/c1-14(16-10-6-3-7-11-16)17(12-18)19-13-15-8-4-2-5-9-15/h2-11,14,17,19H,13H2,1H3/t14-,17+/m1/s1
InChIKeyQSTNNYCXLVJCAC-PBHICJAKSA-N
XLogP3.47
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
(2R)-2-(benzylamino)propanenitrile
CID 28702462
2-(3-hydroxypropylamino)-3-phenylbutanenitrile
CID 62587688
2-amino-3-(benzylamino)butanedinitrile
CID 130279575
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(cyclopropylamino)-3-phenylbutanenitrile
CID 61305569
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
CID 10911987
(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile?
The IUPAC name of (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile (CID 10755680) is (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile.
What is the SMILES notation for (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile?
The canonical SMILES for (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile is C[C@H](c1ccccc1)[C@H](C#N)NCc1ccccc1.
What is the InChIKey of (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile?
The InChIKey is QSTNNYCXLVJCAC-PBHICJAKSA-N. The full InChI is InChI=1S/C17H18N2/c1-14(16-10-6-3-7-11-16)17(12-18)19-13-15-8-4-2-5-9-15/h2-11,14,17,19H,13H2,1H3/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile?
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile has a molecular weight of 250.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzylamino)-3-phenylbutanenitrile is sourced from PubChem (CID 10755680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).