1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine

C10H11ClF3NO — CID 84707984

IUPAC1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1c(C(C)N)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-5(15)7-3-6(11)4-8(9(7)16-2)10(12,13)14/h3-5H,15H2,1-2H3
InChIKeyINBGIMUREGEPRK-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.39
Rot. Bonds2

About 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine

1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 84707984) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID84707984
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1c(C(C)N)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-5(15)7-3-6(11)4-8(9(7)16-2)10(12,13)14/h3-5H,15H2,1-2H3
InChIKeyINBGIMUREGEPRK-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117454100
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
4-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]butan-1-amine
CID 117452182
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117454085
3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581
2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117499005
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine (CID 84707984) is 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine is COc1c(C(C)N)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is INBGIMUREGEPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-5(15)7-3-6(11)4-8(9(7)16-2)10(12,13)14/h3-5H,15H2,1-2H3.
What are the key properties of 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine?
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 253.65 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 84707984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).