2-[1-(4-chlorophenyl)propylamino]benzonitrile

C16H15ClN2 — CID 43080476

IUPAC2-[1-(4-chlorophenyl)propylamino]benzonitrile
SMILESCCC(Nc1ccccc1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c1-2-15(12-7-9-14(17)10-8-12)19-16-6-4-3-5-13(16)11-18/h3-10,15,19H,2H2,1H3
InChIKeyDRTKOVDULZBQNG-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.77
Rot. Bonds4

About 2-[1-(4-chlorophenyl)propylamino]benzonitrile

2-[1-(4-chlorophenyl)propylamino]benzonitrile (PubChem CID 43080476) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]benzonitrile.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]benzonitrile
PubChem CID43080476
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-[1-(4-chlorophenyl)propylamino]benzonitrile
SMILESCCC(Nc1ccccc1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c1-2-15(12-7-9-14(17)10-8-12)19-16-6-4-3-5-13(16)11-18/h3-10,15,19H,2H2,1H3
InChIKeyDRTKOVDULZBQNG-UHFFFAOYSA-N
XLogP4.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2-iodoaniline
CID 43124768
2-(butan-2-ylamino)benzonitrile
CID 43178639
4-methyl-2-(1-phenylpropylamino)benzonitrile
CID 62305230
4-chloro-2-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871222
N-[1-(4-chlorophenyl)propyl]-2-methyl-3-nitroaniline
CID 43719693
2-nitro-3-(1-phenylpropylamino)benzonitrile
CID 104717837
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2-bromo-3-fluoro-4-(1-phenylpropylamino)benzonitrile
CID 107533581
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]benzonitrile?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]benzonitrile (CID 43080476) is 2-[1-(4-chlorophenyl)propylamino]benzonitrile.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]benzonitrile?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]benzonitrile is CCC(Nc1ccccc1C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]benzonitrile?
The InChIKey is DRTKOVDULZBQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-15(12-7-9-14(17)10-8-12)19-16-6-4-3-5-13(16)11-18/h3-10,15,19H,2H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]benzonitrile?
2-[1-(4-chlorophenyl)propylamino]benzonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]benzonitrile is sourced from PubChem (CID 43080476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).