(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile

C11H13FN2 — CID 130695934

IUPAC(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile
SMILESCc1ccc(F)c([C@](C)(N)CC#N)c1
InChIInChI=1S/C11H13FN2/c1-8-3-4-10(12)9(7-8)11(2,14)5-6-13/h3-4,7H,5,14H2,1-2H3/t11-/m1/s1
InChIKeyVZFMSBOYAPQROK-LLVKDONJSA-N
MW192.24 g/mol
LogP2.22
Rot. Bonds2

About (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile

(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile (PubChem CID 130695934) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile
PubChem CID130695934
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile
SMILESCc1ccc(F)c([C@](C)(N)CC#N)c1
InChIInChI=1S/C11H13FN2/c1-8-3-4-10(12)9(7-8)11(2,14)5-6-13/h3-4,7H,5,14H2,1-2H3/t11-/m1/s1
InChIKeyVZFMSBOYAPQROK-LLVKDONJSA-N
XLogP2.22
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
1-(3-Methylphenyl)cyclohexan-1-amine hydrochloride
CID 45259751
3-Phenylpentan-3-amine hydrochloride
CID 45036910
Cumylamine
CID 68509
1-(3-Fluorophenyl)cyclohexylamine
CID 3035993
1-(3-Methylphenyl)cyclohexanamine
CID 36133764
1-(4-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259868
2-Amino-2-(4-fluorophenyl)acetonitrile
CID 2735922
2-(4-Methylphenyl)propan-2-amine
CID 584050
3-Phenylpentan-3-amine
CID 3829053
1-[3-(Trifluoromethyl)phenyl]cyclohexan-1-amine
CID 21534495

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile (CID 130695934) is (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile is Cc1ccc(F)c([C@](C)(N)CC#N)c1.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile?
The InChIKey is VZFMSBOYAPQROK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-3-4-10(12)9(7-8)11(2,14)5-6-13/h3-4,7H,5,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile?
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile has a molecular weight of 192.24 g/mol, XLogP of 2.22, 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-(2-fluoro-5-methylphenyl)butanenitrile is sourced from PubChem (CID 130695934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).