2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine

C12H16F3NO2 — CID 79197999

IUPAC2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCOC(C)(C)C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-11(2,17-3)10(16)8-5-4-6-9(7-8)18-12(13,14)15/h4-7,10H,16H2,1-3H3
InChIKeyOKMVKWOXZXTLQZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.01
Rot. Bonds4

About 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine

2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 79197999) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID79197999
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCOC(C)(C)C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-11(2,17-3)10(16)8-5-4-6-9(7-8)18-12(13,14)15/h4-7,10H,16H2,1-3H3
InChIKeyOKMVKWOXZXTLQZ-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-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

(3S)-3-amino-2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 171249837
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115854063
(S)-2-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]propane-2-sulfinamide;(1S)-1-[3-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 157229998
[2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105274524
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (CID 79197999) is 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine is COC(C)(C)C(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is OKMVKWOXZXTLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-11(2,17-3)10(16)8-5-4-6-9(7-8)18-12(13,14)15/h4-7,10H,16H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 79197999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).