2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile

C10H11ClN2 — CID 82076008

IUPAC2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
SMILESCC(N)(C#N)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5H,6,13H2,1H3
InChIKeyPSXJMAPSIFIYKG-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile

2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile (PubChem CID 82076008) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
PubChem CID82076008
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
SMILESCC(N)(C#N)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5H,6,13H2,1H3
InChIKeyPSXJMAPSIFIYKG-UHFFFAOYSA-N
XLogP2.12
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
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1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
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CID 84752651
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835
2-[(4-chlorophenyl)methyl]-2-phenyldiazenylpropanedinitrile
CID 23618209
acetonitrile;4-chloroaniline
CID 174309916
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile (CID 82076008) is 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile is CC(N)(C#N)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile?
The InChIKey is PSXJMAPSIFIYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5H,6,13H2,1H3.
What are the key properties of 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile?
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile has a molecular weight of 194.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 82076008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).