(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile

C11H14N2O — CID 55270810

IUPAC(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile
SMILESCOc1cc([C@H](N)CC#N)ccc1C
InChIInChI=1S/C11H14N2O/c1-8-3-4-9(7-11(8)14-2)10(13)5-6-12/h3-4,7,10H,5,13H2,1-2H3/t10-/m1/s1
InChIKeyRHYQEQRNNRYVKY-SNVBAGLBSA-N
MW190.25 g/mol
LogP1.92
Rot. Bonds3

About (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile

(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile (PubChem CID 55270810) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile
PubChem CID55270810
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile
SMILESCOc1cc([C@H](N)CC#N)ccc1C
InChIInChI=1S/C11H14N2O/c1-8-3-4-9(7-11(8)14-2)10(13)5-6-12/h3-4,7,10H,5,13H2,1-2H3/t10-/m1/s1
InChIKeyRHYQEQRNNRYVKY-SNVBAGLBSA-N
XLogP1.92
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(4-iodo-3-methoxyphenyl)propanenitrile
CID 131145897
3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807
(3S)-3-amino-3-(4-chloro-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260112
(3R)-3-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 131168095
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171260571
3,4-dihydroxy-4-(3-methoxy-4-methylphenyl)butanenitrile
CID 171900901
(3S)-3-amino-3-(3-hydroxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171259831
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 95452478
(3R)-3-amino-3-(3-bromo-4-methylphenyl)propanenitrile
CID 131026751
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile;hydrochloride
CID 171259839
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propanenitrile
CID 171259907
(3R)-3-amino-3-(3-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171260420

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile (CID 55270810) is (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile is COc1cc([C@H](N)CC#N)ccc1C.
What is the InChIKey of (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile?
The InChIKey is RHYQEQRNNRYVKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-4-9(7-11(8)14-2)10(13)5-6-12/h3-4,7,10H,5,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile?
(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile is sourced from PubChem (CID 55270810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).