2-(2-fluoro-5-methylphenyl)butan-2-amine

C11H16FN — CID 62791444

IUPAC2-(2-fluoro-5-methylphenyl)butan-2-amine
SMILESCCC(C)(N)c1cc(C)ccc1F
InChIInChI=1S/C11H16FN/c1-4-11(3,13)9-7-8(2)5-6-10(9)12/h5-7H,4,13H2,1-3H3
InChIKeyXUJOVTQFGZPRFM-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-fluoro-5-methylphenyl)butan-2-amine

2-(2-fluoro-5-methylphenyl)butan-2-amine (PubChem CID 62791444) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)butan-2-amine
PubChem CID62791444
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-(2-fluoro-5-methylphenyl)butan-2-amine
SMILESCCC(C)(N)c1cc(C)ccc1F
InChIInChI=1S/C11H16FN/c1-4-11(3,13)9-7-8(2)5-6-10(9)12/h5-7H,4,13H2,1-3H3
InChIKeyXUJOVTQFGZPRFM-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)butan-2-amine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)butan-2-amine (CID 62791444) is 2-(2-fluoro-5-methylphenyl)butan-2-amine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)butan-2-amine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)butan-2-amine is CCC(C)(N)c1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)butan-2-amine?
The InChIKey is XUJOVTQFGZPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-11(3,13)9-7-8(2)5-6-10(9)12/h5-7H,4,13H2,1-3H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)butan-2-amine?
2-(2-fluoro-5-methylphenyl)butan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)butan-2-amine is sourced from PubChem (CID 62791444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).