4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine

C12H18FN — CID 105372310

IUPAC4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
SMILESCc1ccc(F)cc1CC(C)C(C)N
InChIInChI=1S/C12H18FN/c1-8-4-5-12(13)7-11(8)6-9(2)10(3)14/h4-5,7,9-10H,6,14H2,1-3H3
InChIKeyGLCIVVWWALJBMW-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.66
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine

4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine (PubChem CID 105372310) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
PubChem CID105372310
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
SMILESCc1ccc(F)cc1CC(C)C(C)N
InChIInChI=1S/C12H18FN/c1-8-4-5-12(13)7-11(8)6-9(2)10(3)14/h4-5,7,9-10H,6,14H2,1-3H3
InChIKeyGLCIVVWWALJBMW-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
CID 105377488
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine (CID 105372310) is 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine is Cc1ccc(F)cc1CC(C)C(C)N.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine?
The InChIKey is GLCIVVWWALJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8-4-5-12(13)7-11(8)6-9(2)10(3)14/h4-5,7,9-10H,6,14H2,1-3H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine?
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 105372310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).