2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile

C16H15ClN2 — CID 60693747

IUPAC2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
SMILESCC(NCc1ccccc1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c1-12(13-6-8-16(17)9-7-13)19-11-15-5-3-2-4-14(15)10-18/h2-9,12,19H,11H2,1H3
InChIKeyJHPAOQOONFDTTP-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.06
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile

2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile (PubChem CID 60693747) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
PubChem CID60693747
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
SMILESCC(NCc1ccccc1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c1-12(13-6-8-16(17)9-7-13)19-11-15-5-3-2-4-14(15)10-18/h2-9,12,19H,11H2,1H3
InChIKeyJHPAOQOONFDTTP-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904571
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904569
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]benzonitrile
CID 113339174
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
2-[[1-(3-bromophenyl)ethylamino]methyl]benzonitrile
CID 54896298
2-fluoro-3-[[[(1R)-1-phenylethyl]amino]methyl]benzonitrile
CID 103913767
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile?
The IUPAC name of 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile (CID 60693747) is 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile?
The canonical SMILES for 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile is CC(NCc1ccccc1C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile?
The InChIKey is JHPAOQOONFDTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-12(13-6-8-16(17)9-7-13)19-11-15-5-3-2-4-14(15)10-18/h2-9,12,19H,11H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile?
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.06, 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)ethylamino]methyl]benzonitrile is sourced from PubChem (CID 60693747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).