2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile

C12H14N2O — CID 43151709

IUPAC2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CC2)cc1
InChIInChI=1S/C12H14N2O/c1-15-11-6-2-9(3-7-11)12(8-13)14-10-4-5-10/h2-3,6-7,10,12,14H,4-5H2,1H3
InChIKeyFZDQECCYKGBTCT-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.01
Rot. Bonds4

About 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile

2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile (PubChem CID 43151709) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
PubChem CID43151709
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CC2)cc1
InChIInChI=1S/C12H14N2O/c1-15-11-6-2-9(3-7-11)12(8-13)14-10-4-5-10/h2-3,6-7,10,12,14H,4-5H2,1H3
InChIKeyFZDQECCYKGBTCT-UHFFFAOYSA-N
XLogP2.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
CID 62496121
2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937308
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096727
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile (CID 43151709) is 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is FZDQECCYKGBTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-11-6-2-9(3-7-11)12(8-13)14-10-4-5-10/h2-3,6-7,10,12,14H,4-5H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile?
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 43151709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).