2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine

C16H16ClF2NO — CID 115844832

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-9-5-12(14(19)8-13(9)18)15(20)7-10-6-11(17)3-4-16(10)21-2/h3-6,8,15H,7,20H2,1-2H3
InChIKeyGJBZWKCSRJDMNO-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.18
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine

2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine (PubChem CID 115844832) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
PubChem CID115844832
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-9-5-12(14(19)8-13(9)18)15(20)7-10-6-11(17)3-4-16(10)21-2/h3-6,8,15H,7,20H2,1-2H3
InChIKeyGJBZWKCSRJDMNO-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115830073
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine (CID 115844832) is 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine is COc1ccc(Cl)cc1CC(N)c1cc(C)c(F)cc1F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The InChIKey is GJBZWKCSRJDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-9-5-12(14(19)8-13(9)18)15(20)7-10-6-11(17)3-4-16(10)21-2/h3-6,8,15H,7,20H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.18, 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-difluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 115844832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).