1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine

C14H19F4NO — CID 103031419

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H19F4NO/c1-13(2,20-3)8-7-11(19)9-5-4-6-10(12(9)15)14(16,17)18/h4-6,11H,7-8,19H2,1-3H3
InChIKeyWALCFMNNWVXZPX-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.05
Rot. Bonds5

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine

1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031419) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
PubChem CID103031419
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H19F4NO/c1-13(2,20-3)8-7-11(19)9-5-4-6-10(12(9)15)14(16,17)18/h4-6,11H,7-8,19H2,1-3H3
InChIKeyWALCFMNNWVXZPX-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-(3-(trifluoromethyl)phenyl)propan-1-ol
CID 2766214
2-Methoxy-1-(3-(trifluoromethyl)phenyl)ethan-1-amine
CID 16783958
1-[4-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-amine
CID 18543670
(4-Fluorophenyl)(oxan-4-yl)methanamine
CID 62904946
(4-Fluorophenyl)(oxan-4-yl)methanamine hydrochloride
CID 86263110
(Oxan-4-yl)[3-(trifluoromethyl)phenyl]methanamine hydrochloride
CID 112756555
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025004
1-(2,4-difluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025005
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025035
4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025036
N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025037

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine (CID 103031419) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
The InChIKey is WALCFMNNWVXZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-13(2,20-3)8-7-11(19)9-5-4-6-10(12(9)15)14(16,17)18/h4-6,11H,7-8,19H2,1-3H3.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine has a molecular weight of 293.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).