2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile

C13H16N2 — CID 43753552

IUPAC2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NC2CC2)cc1C
InChIInChI=1S/C13H16N2/c1-9-3-4-11(7-10(9)2)13(8-14)15-12-5-6-12/h3-4,7,12-13,15H,5-6H2,1-2H3
InChIKeyHMADYPQSGIFPLX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.62
Rot. Bonds3

About 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile

2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile (PubChem CID 43753552) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
PubChem CID43753552
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NC2CC2)cc1C
InChIInChI=1S/C13H16N2/c1-9-3-4-11(7-10(9)2)13(8-14)15-12-5-6-12/h3-4,7,12-13,15H,5-6H2,1-2H3
InChIKeyHMADYPQSGIFPLX-UHFFFAOYSA-N
XLogP2.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
(2S)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)acetonitrile
CID 28700976
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclopropylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile
CID 60870508
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096727
2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
CID 54886362
2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
CID 62496121

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile (CID 43753552) is 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile is Cc1ccc(C(C#N)NC2CC2)cc1C.
What is the InChIKey of 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile?
The InChIKey is HMADYPQSGIFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-3-4-11(7-10(9)2)13(8-14)15-12-5-6-12/h3-4,7,12-13,15H,5-6H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile?
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile has a molecular weight of 200.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile is sourced from PubChem (CID 43753552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).