(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride

C10H12ClFN2 — CID 162344714

IUPAC(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
SMILESCc1cc(F)ccc1[C@H](N)CC#N.Cl
InChIInChI=1S/C10H11FN2.ClH/c1-7-6-8(11)2-3-9(7)10(13)4-5-12;/h2-3,6,10H,4,13H2,1H3;1H/t10-;/m1./s1
InChIKeyGWGXUTXWMRNPTL-HNCPQSOCSA-N
MW214.67 g/mol
LogP2.47
Rot. Bonds2

About (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride

(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride (PubChem CID 162344714) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
PubChem CID162344714
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
SMILESCc1cc(F)ccc1[C@H](N)CC#N.Cl
InChIInChI=1S/C10H11FN2.ClH/c1-7-6-8(11)2-3-9(7)10(13)4-5-12;/h2-3,6,10H,4,13H2,1H3;1H/t10-;/m1./s1
InChIKeyGWGXUTXWMRNPTL-HNCPQSOCSA-N
XLogP2.47
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanenitrile
CID 131196533
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
(3S)-3-amino-3-(2-ethyl-5-fluorophenyl)propanenitrile
CID 130658086
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
(3S)-3-amino-3-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 131016140
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
(3S)-3-amino-3-(3-fluoro-2-hydroxy-4-methylphenyl)propanenitrile
CID 130665481
(3S)-3-amino-3-(4-amino-5-fluoro-2-methylphenyl)propanenitrile
CID 131218935
3-amino-3-(6-fluoro-4-methyl-3-pyridinyl)propanenitrile
CID 55295217

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride (CID 162344714) is (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride is Cc1cc(F)ccc1[C@H](N)CC#N.Cl.
What is the InChIKey of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride?
The InChIKey is GWGXUTXWMRNPTL-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H11FN2.ClH/c1-7-6-8(11)2-3-9(7)10(13)4-5-12;/h2-3,6,10H,4,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride?
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride has a molecular weight of 214.67 g/mol, XLogP of 2.47, 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-2-methylphenyl)propanenitrile;hydrochloride is sourced from PubChem (CID 162344714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).