N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine

C12H15F4NO — CID 75530130

IUPACN-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine
SMILESCCC(COC(F)(F)F)NCc1ccc(F)cc1
InChIInChI=1S/C12H15F4NO/c1-2-11(8-18-12(14,15)16)17-7-9-3-5-10(13)6-4-9/h3-6,11,17H,2,7-8H2,1H3
InChIKeyZUCSTHLCJDAENX-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.23
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine

N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine (PubChem CID 75530130) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine
PubChem CID75530130
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine
SMILESCCC(COC(F)(F)F)NCc1ccc(F)cc1
InChIInChI=1S/C12H15F4NO/c1-2-11(8-18-12(14,15)16)17-7-9-3-5-10(13)6-4-9/h3-6,11,17H,2,7-8H2,1H3
InChIKeyZUCSTHLCJDAENX-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782
1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957862
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957859
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
3-[[4-(trifluoromethoxy)phenyl]methylamino]pentanoic acid
CID 134162198
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine (CID 75530130) is N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine is CCC(COC(F)(F)F)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine?
The InChIKey is ZUCSTHLCJDAENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-11(8-18-12(14,15)16)17-7-9-3-5-10(13)6-4-9/h3-6,11,17H,2,7-8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine?
N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine has a molecular weight of 265.25 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine is sourced from PubChem (CID 75530130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).