2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride

C9H10Cl2N2 — CID 91664037

IUPAC2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
SMILESCNC(C#N)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H9ClN2.ClH/c1-12-9(6-11)7-2-4-8(10)5-3-7;/h2-5,9,12H,1H3;1H
InChIKeyASMIOCPQSCLQBP-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride

2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride (PubChem CID 91664037) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
PubChem CID91664037
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
SMILESCNC(C#N)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H9ClN2.ClH/c1-12-9(6-11)7-2-4-8(10)5-3-7;/h2-5,9,12H,1H3;1H
InChIKeyASMIOCPQSCLQBP-UHFFFAOYSA-N
XLogP2.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-2-(methylamino)acetonitrile
CID 130518215
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
CID 54886237
4-[(4-chloroanilino)-cyanomethyl]benzonitrile
CID 54886592
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
tert-butyl N-[(4-chlorophenyl)-cyanomethyl]carbamate
CID 11242589
2-(4-chloroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60987669

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride (CID 91664037) is 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride is CNC(C#N)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride?
The InChIKey is ASMIOCPQSCLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2.ClH/c1-12-9(6-11)7-2-4-8(10)5-3-7;/h2-5,9,12H,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride?
2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride has a molecular weight of 217.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride is sourced from PubChem (CID 91664037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).