2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile

C17H17ClN2 — CID 25155800

IUPAC2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
SMILESN#CC(NCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c18-16-10-8-15(9-11-16)17(13-19)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12H2
InChIKeyXEEVOGNHFYUJMT-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.13
Rot. Bonds6

About 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile

2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile (PubChem CID 25155800) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
PubChem CID25155800
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
SMILESN#CC(NCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c18-16-10-8-15(9-11-16)17(13-19)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12H2
InChIKeyXEEVOGNHFYUJMT-UHFFFAOYSA-N
XLogP4.13
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
3-(3-phenylpropylamino)butanenitrile
CID 60905257
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
2-(4-chloroanilino)-4-phenylbutanenitrile
CID 55129359
2-(1,3-benzodioxol-5-yl)-2-(2-phenylethylamino)acetonitrile
CID 82020032
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile (CID 25155800) is 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile is N#CC(NCCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile?
The InChIKey is XEEVOGNHFYUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-16-10-8-15(9-11-16)17(13-19)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12H2.
What are the key properties of 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile?
2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile has a molecular weight of 284.79 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile is sourced from PubChem (CID 25155800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).