1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine

C11H14F3NO — CID 66204746

IUPAC1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)(c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-10(15-2,11(12,13)14)8-4-6-9(16-3)7-5-8/h4-7,15H,1-3H3
InChIKeyRHKGKQMWXSHLMT-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.69
Rot. Bonds3

About 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine

1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 66204746) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID66204746
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)(c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-10(15-2,11(12,13)14)8-4-6-9(16-3)7-5-8/h4-7,15H,1-3H3
InChIKeyRHKGKQMWXSHLMT-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-methoxy-4-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156763937
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenoxy]benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]benzene;1-methoxy-4-(4-methoxyphenyl)benzene
CID 158471976
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 19866956
1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156763397
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine (CID 66204746) is 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine is CNC(C)(c1ccc(OC)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is RHKGKQMWXSHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(15-2,11(12,13)14)8-4-6-9(16-3)7-5-8/h4-7,15H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine?
1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 66204746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).