N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine

C14H19F4N — CID 107446774

IUPACN-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F4N/c1-13(2,3)19-9-12(15)8-10-5-4-6-11(7-10)14(16,17)18/h4-7,12,19H,8-9H2,1-3H3
InChIKeyXZPPWTSQQAPRIM-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.97
Rot. Bonds4

About N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine (PubChem CID 107446774) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
PubChem CID107446774
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC NameN-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F4N/c1-13(2,3)19-9-12(15)8-10-5-4-6-11(7-10)14(16,17)18/h4-7,12,19H,8-9H2,1-3H3
InChIKeyXZPPWTSQQAPRIM-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 107446727
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine (CID 107446774) is N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine?
The InChIKey is XZPPWTSQQAPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-13(2,3)19-9-12(15)8-10-5-4-6-11(7-10)14(16,17)18/h4-7,12,19H,8-9H2,1-3H3.
What are the key properties of N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).