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

C10H11FN2 — CID 55277483

IUPAC(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
SMILESCc1cc([C@H](N)CC#N)ccc1F
InChIInChI=1S/C10H11FN2/c1-7-6-8(2-3-9(7)11)10(13)4-5-12/h2-3,6,10H,4,13H2,1H3/t10-/m1/s1
InChIKeyHYFHABCUOIGKES-SNVBAGLBSA-N
MW178.21 g/mol
LogP2.05
Rot. Bonds2

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

(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile (PubChem CID 55277483) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
PubChem CID55277483
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
SMILESCc1cc([C@H](N)CC#N)ccc1F
InChIInChI=1S/C10H11FN2/c1-7-6-8(2-3-9(7)11)10(13)4-5-12/h2-3,6,10H,4,13H2,1H3/t10-/m1/s1
InChIKeyHYFHABCUOIGKES-SNVBAGLBSA-N
XLogP2.05
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(3-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171260420
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
(3S)-3-amino-3-(3-bromo-4-fluorophenyl)propanenitrile;hydrochloride
CID 171259873
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(3R)-3-amino-3-(3-bromo-4-methylphenyl)propanenitrile
CID 131026751
(3R)-3-amino-3-(4-bromo-3-fluorophenyl)propanenitrile
CID 131054714
(3R)-3-amino-3-(3-fluoro-4-iodophenyl)propanenitrile
CID 130655907
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile
CID 55270810
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanenitrile
CID 131558946

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile (CID 55277483) is (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile is Cc1cc([C@H](N)CC#N)ccc1F.
What is the InChIKey of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile?
The InChIKey is HYFHABCUOIGKES-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-6-8(2-3-9(7)11)10(13)4-5-12/h2-3,6,10H,4,13H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile?
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile has a molecular weight of 178.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile is sourced from PubChem (CID 55277483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).