1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C13H17F4NO — CID 103216517

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1cc(F)ccc1C
InChIInChI=1S/C13H17F4NO/c1-9-3-4-11(14)5-10(9)6-12(18-2)7-19-8-13(15,16)17/h3-5,12,18H,6-8H2,1-2H3
InChIKeyKQQUNCMDFZYLOK-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.84
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103216517) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103216517
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1cc(F)ccc1C
InChIInChI=1S/C13H17F4NO/c1-9-3-4-11(14)5-10(9)6-12(18-2)7-19-8-13(15,16)17/h3-5,12,18H,6-8H2,1-2H3
InChIKeyKQQUNCMDFZYLOK-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217827
1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 105371326
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309192
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216239
4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103312373
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
CID 103474473
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
CID 105373609

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103216517) is 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is KQQUNCMDFZYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c1-9-3-4-11(14)5-10(9)6-12(18-2)7-19-8-13(15,16)17/h3-5,12,18H,6-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 279.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103216517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).