3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine

C13H20FN — CID 62791449

IUPAC3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(F)c(C)c1)C(C)C
InChIInChI=1S/C13H20FN/c1-5-13(15,9(2)3)11-6-7-12(14)10(4)8-11/h6-9H,5,15H2,1-4H3
InChIKeyCUXCNIBVKCRGFE-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.35
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine

3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine (PubChem CID 62791449) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
PubChem CID62791449
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(F)c(C)c1)C(C)C
InChIInChI=1S/C13H20FN/c1-5-13(15,9(2)3)11-6-7-12(14)10(4)8-11/h6-9H,5,15H2,1-4H3
InChIKeyCUXCNIBVKCRGFE-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylphenyl)-2-methylpentan-3-amine
CID 62550637
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
3-(4-tert-butylphenyl)-2-methylpentan-3-amine
CID 63408030
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
CID 55181933
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene
CID 174343858

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine (CID 62791449) is 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine is CCC(N)(c1ccc(F)c(C)c1)C(C)C.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine?
The InChIKey is CUXCNIBVKCRGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-5-13(15,9(2)3)11-6-7-12(14)10(4)8-11/h6-9H,5,15H2,1-4H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine?
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 62791449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).