2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile

C12H13ClN2O — CID 104816442

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)NC1CC1
InChIInChI=1S/C12H13ClN2O/c1-16-11-4-2-3-9(13)12(11)10(7-14)15-8-5-6-8/h2-4,8,10,15H,5-6H2,1H3
InChIKeyBNOZAFZYRNULJK-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile

2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile (PubChem CID 104816442) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
PubChem CID104816442
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)NC1CC1
InChIInChI=1S/C12H13ClN2O/c1-16-11-4-2-3-9(13)12(11)10(7-14)15-8-5-6-8/h2-4,8,10,15H,5-6H2,1H3
InChIKeyBNOZAFZYRNULJK-UHFFFAOYSA-N
XLogP2.67
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
CID 104816454
2-(4-bromoanilino)-2-(2-chloro-6-methoxyphenyl)acetonitrile
CID 104816447
2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
CID 104819014
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile
CID 43151692
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 113456484
3-(2-chloro-6-methoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 104819043
1-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 104819037

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile (CID 104816442) is 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile is COc1cccc(Cl)c1C(C#N)NC1CC1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile?
The InChIKey is BNOZAFZYRNULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-16-11-4-2-3-9(13)12(11)10(7-14)15-8-5-6-8/h2-4,8,10,15H,5-6H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile?
2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile has a molecular weight of 236.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile is sourced from PubChem (CID 104816442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).