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

C11H14F3NO — CID 117245008

IUPAC3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCOCC(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-16-7-9(6-15)8-2-4-10(5-3-8)11(12,13)14/h2-5,9H,6-7,15H2,1H3
InChIKeyGZDDTUFFRNMDFN-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.39
Rot. Bonds4

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

3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 117245008) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID117245008
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCOCC(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-16-7-9(6-15)8-2-4-10(5-3-8)11(12,13)14/h2-5,9H,6-7,15H2,1H3
InChIKeyGZDDTUFFRNMDFN-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
3-methoxy-2-phenylpropan-1-amine
CID 66968828
1-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 177016674
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 61427131
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl] hydrogen sulfite
CID 59113926
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate
CID 25270031

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 117245008) is 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine is COCC(CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is GZDDTUFFRNMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-16-7-9(6-15)8-2-4-10(5-3-8)11(12,13)14/h2-5,9H,6-7,15H2,1H3.
What are the key properties of 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117245008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).