N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine

C12H15F4NO — CID 172506919

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4NO/c1-8(7-18-2)17-6-9-3-4-10(5-11(9)13)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyWCSSXFDYQCDRKU-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.97
Rot. Bonds5

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine (PubChem CID 172506919) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
PubChem CID172506919
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4NO/c1-8(7-18-2)17-6-9-3-4-10(5-11(9)13)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyWCSSXFDYQCDRKU-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115663744
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117319005
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
N-[(4-bromo-2-fluorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049646
(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829185
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 46873110

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine (CID 172506919) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine?
The InChIKey is WCSSXFDYQCDRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-8(7-18-2)17-6-9-3-4-10(5-11(9)13)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine has a molecular weight of 265.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 172506919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).