(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine

C11H16FN — CID 131289439

IUPAC(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
SMILESCc1cc(F)cc(CC[C@@H](C)N)c1
InChIInChI=1S/C11H16FN/c1-8-5-10(4-3-9(2)13)7-11(12)6-8/h5-7,9H,3-4,13H2,1-2H3/t9-/m1/s1
InChIKeyGOMSCRKUCSUGMA-SECBINFHSA-N
MW181.25 g/mol
LogP2.41
Rot. Bonds3

About (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine

(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine (PubChem CID 131289439) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
PubChem CID131289439
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
SMILESCc1cc(F)cc(CC[C@@H](C)N)c1
InChIInChI=1S/C11H16FN/c1-8-5-10(4-3-9(2)13)7-11(12)6-8/h5-7,9H,3-4,13H2,1-2H3/t9-/m1/s1
InChIKeyGOMSCRKUCSUGMA-SECBINFHSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
CID 130650457
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129
(2S)-4-(3,5-dibromophenyl)butan-2-amine
CID 130719784
1-(3,5-dimethylphenyl)pentan-3-amine
CID 61028889
1-(3-chloropropyl)-3-fluoro-5-methylbenzene
CID 79704910
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
ethyl 3-(3-fluoro-5-methylphenyl)propanoate
CID 79018311
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine?
The IUPAC name of (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine (CID 131289439) is (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine is Cc1cc(F)cc(CC[C@@H](C)N)c1.
What is the InChIKey of (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine?
The InChIKey is GOMSCRKUCSUGMA-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-5-10(4-3-9(2)13)7-11(12)6-8/h5-7,9H,3-4,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine?
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine is sourced from PubChem (CID 131289439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).