1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine

C11H14F3NO — CID 117337696

IUPAC1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-7(15)3-8-4-9(11(12,13)14)6-10(5-8)16-2/h4-7H,3,15H2,1-2H3
InChIKeyCLMVTMWKTGBGFK-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.60
Rot. Bonds3

About 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine

1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 117337696) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID117337696
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-7(15)3-8-4-9(11(12,13)14)6-10(5-8)16-2/h4-7H,3,15H2,1-2H3
InChIKeyCLMVTMWKTGBGFK-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-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

(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371
3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol
CID 131614389
1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 161489790
1-(3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117296829
1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[3,5-bis(trifluoromethyl)phenyl]butan-2-amine
CID 79020904
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine (CID 117337696) is 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine is COc1cc(CC(C)N)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is CLMVTMWKTGBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(15)3-8-4-9(11(12,13)14)6-10(5-8)16-2/h4-7H,3,15H2,1-2H3.
What are the key properties of 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine?
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117337696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).