3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C15H21F4N — CID 107290244

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F4N/c1-10(2)8-20-9-11(3)6-12-4-5-14(16)13(7-12)15(17,18)19/h4-5,7,10-11,20H,6,8-9H2,1-3H3
InChIKeyBWSNBVINXDSAAO-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.27
Rot. Bonds6

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 107290244) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID107290244
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F4N/c1-10(2)8-20-9-11(3)6-12-4-5-14(16)13(7-12)15(17,18)19/h4-5,7,10-11,20H,6,8-9H2,1-3H3
InChIKeyBWSNBVINXDSAAO-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528904
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
CID 63453849
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 67073311
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113425320

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 107290244) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is BWSNBVINXDSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N/c1-10(2)8-20-9-11(3)6-12-4-5-14(16)13(7-12)15(17,18)19/h4-5,7,10-11,20H,6,8-9H2,1-3H3.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 291.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 107290244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).