3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile

C17H18N2 — CID 11265207

IUPAC3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
SMILESC[C@H](NC(C#N)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-14(16-10-6-3-7-11-16)19-17(13-18)12-15-8-4-2-5-9-15/h2-11,14,17,19H,12H2,1H3/t14-,17?/m0/s1
InChIKeyJWVMFZNKZFXETC-MBIQTGHCSA-N
MW250.35 g/mol
LogP3.47
Rot. Bonds5

About 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile

3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile (PubChem CID 11265207) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
PubChem CID11265207
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
SMILESC[C@H](NC(C#N)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-14(16-10-6-3-7-11-16)19-17(13-18)12-15-8-4-2-5-9-15/h2-11,14,17,19H,12H2,1H3/t14-,17?/m0/s1
InChIKeyJWVMFZNKZFXETC-MBIQTGHCSA-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

3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074
(2S)-2-(1-hydroxypropan-2-ylamino)-3-phenylpropanenitrile
CID 67860910
4,4,4-trifluoro-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 67579620
(2S)-2-(1-chloropropylamino)-3-phenylpropanenitrile
CID 67860917
3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 163244356
2-(1-phenylethylamino)-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile
CID 170169174
3,4,5-trifluoro-2-(1-phenylethylamino)pentanenitrile
CID 87101973
(2S)-3,3-dimethyl-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 101095411
2-benzyl-3-methylbutanenitrile;N-methylmethanamine
CID 21389679
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanenitrile
CID 81356979
2-(cyclopropylamino)-3-phenylpropanenitrile
CID 43151723
(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
CID 135070081

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile?
The IUPAC name of 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile (CID 11265207) is 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile.
What is the SMILES notation for 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile?
The canonical SMILES for 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile is C[C@H](NC(C#N)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile?
The InChIKey is JWVMFZNKZFXETC-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H18N2/c1-14(16-10-6-3-7-11-16)19-17(13-18)12-15-8-4-2-5-9-15/h2-11,14,17,19H,12H2,1H3/t14-,17?/m0/s1.
What are the key properties of 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile?
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile 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 3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile is sourced from PubChem (CID 11265207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).