(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine

C10H12F3NO — CID 131503753

IUPAC(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-6H,14H2,1-2H3/t6-/m1/s1
InChIKeyHXJBORBJUYIMPC-ZCFIWIBFSA-N
MW219.21 g/mol
LogP2.73
Rot. Bonds2

About (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine

(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 131503753) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID131503753
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-6H,14H2,1-2H3/t6-/m1/s1
InChIKeyHXJBORBJUYIMPC-ZCFIWIBFSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
3-bromo-1-[4-methoxy-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860852
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
1-[4-methoxy-3-(trifluoromethyl)phenyl]butane-1,2,4-triol
CID 171873170
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84706950

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine (CID 131503753) is (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine is COc1ccc([C@@H](C)N)cc1C(F)(F)F.
What is the InChIKey of (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HXJBORBJUYIMPC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-6H,14H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 131503753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).