2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C15H13ClF3NO — CID 115845037

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H13ClF3NO/c1-21-14-3-2-9(16)4-8(14)5-13(20)15-11(18)6-10(17)7-12(15)19/h2-4,6-7,13H,5,20H2,1H3
InChIKeyOSHBNVLQNFZJTJ-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.01
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 115845037) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID115845037
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H13ClF3NO/c1-21-14-3-2-9(16)4-8(14)5-13(20)15-11(18)6-10(17)7-12(15)19/h2-4,6-7,13H,5,20H2,1H3
InChIKeyOSHBNVLQNFZJTJ-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 115845037) is 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is COc1ccc(Cl)cc1CC(N)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is OSHBNVLQNFZJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-21-14-3-2-9(16)4-8(14)5-13(20)15-11(18)6-10(17)7-12(15)19/h2-4,6-7,13H,5,20H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 115845037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).