1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine

C9H9ClF3NO — CID 66511237

IUPAC1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
SMILESCOc1ccc(Cl)cc1C(N)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8H,14H2,1H3
InChIKeyGVZQHNJDFIICMS-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine

1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine (PubChem CID 66511237) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
PubChem CID66511237
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
SMILESCOc1ccc(Cl)cc1C(N)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8H,14H2,1H3
InChIKeyGVZQHNJDFIICMS-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312781
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171251366
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine (CID 66511237) is 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine is COc1ccc(Cl)cc1C(N)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is GVZQHNJDFIICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8H,14H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 239.62 g/mol, XLogP of 2.91, 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-methoxyphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66511237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).