4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile

C14H11ClN2 — CID 124679834

IUPAC4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile
SMILESN#Cc1ccc([C@H](N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClN2/c15-13-7-5-12(6-8-13)14(17)11-3-1-10(9-16)2-4-11/h1-8,14H,17H2/t14-/m0/s1
InChIKeyZOMBTFIMEKGKFO-AWEZNQCLSA-N
MW242.71 g/mol
LogP3.26
Rot. Bonds2

About 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile

4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile (PubChem CID 124679834) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile
PubChem CID124679834
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile
SMILESN#Cc1ccc([C@H](N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClN2/c15-13-7-5-12(6-8-13)14(17)11-3-1-10(9-16)2-4-11/h1-8,14H,17H2/t14-/m0/s1
InChIKeyZOMBTFIMEKGKFO-AWEZNQCLSA-N
XLogP3.26
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-[1-(4-chlorophenyl)-2-hydroxypropyl]benzonitrile
CID 90078957
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
4-[amino-(4-chloro-1-benzofuran-2-yl)methyl]benzonitrile
CID 114321373
4-(1-aminoethyl)benzonitrile
CID 11544790
1-(4-chlorophenyl)-2-(4-ethynylphenyl)ethane-1,2-diamine
CID 22996221
4-[(4-chloroanilino)-cyanomethyl]benzonitrile
CID 54886592
4-(1-amino-2,2-difluoroethyl)benzonitrile
CID 130062082
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile?
The IUPAC name of 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile (CID 124679834) is 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile.
What is the SMILES notation for 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile?
The canonical SMILES for 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile is N#Cc1ccc([C@H](N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile?
The InChIKey is ZOMBTFIMEKGKFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-7-5-12(6-8-13)14(17)11-3-1-10(9-16)2-4-11/h1-8,14H,17H2/t14-/m0/s1.
What are the key properties of 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile?
4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile has a molecular weight of 242.71 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile is sourced from PubChem (CID 124679834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).