1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine

C12H18FN — CID 63716843

IUPAC1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(F)c(C)c1
InChIInChI=1S/C12H18FN/c1-4-8(2)12(14)10-5-6-11(13)9(3)7-10/h5-8,12H,4,14H2,1-3H3
InChIKeyJGYWXANYCRUVTH-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine

1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine (PubChem CID 63716843) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
PubChem CID63716843
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(F)c(C)c1
InChIInChI=1S/C12H18FN/c1-4-8(2)12(14)10-5-6-11(13)9(3)7-10/h5-8,12H,4,14H2,1-3H3
InChIKeyJGYWXANYCRUVTH-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
4-[(1S)-1-amino-2-methylbutyl]-2-methylphenol;hydrochloride
CID 171232746
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171262219
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171262220
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine (CID 63716843) is 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine?
The InChIKey is JGYWXANYCRUVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-8(2)12(14)10-5-6-11(13)9(3)7-10/h5-8,12H,4,14H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine?
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 63716843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).