1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine

C13H20FN — CID 79446498

IUPAC1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FN/c1-5-9(2)13(15-4)11-7-6-10(3)12(14)8-11/h6-9,13,15H,5H2,1-4H3
InChIKeyJLPMGKYHGGQZEF-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine

1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine (PubChem CID 79446498) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
PubChem CID79446498
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FN/c1-5-9(2)13(15-4)11-7-6-10(3)12(14)8-11/h6-9,13,15H,5H2,1-4H3
InChIKeyJLPMGKYHGGQZEF-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
1-(3-fluoro-4-methylphenyl)-2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 114222098
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949581
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
CID 107129129
1-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 107130479
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine (CID 79446498) is 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is JLPMGKYHGGQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-5-9(2)13(15-4)11-7-6-10(3)12(14)8-11/h6-9,13,15H,5H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine?
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79446498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).