1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C15H14Cl2FNO — CID 115829955

IUPAC1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-20-14-6-5-9(7-12(14)18)8-13(19)10-3-2-4-11(16)15(10)17/h2-7,13H,8,19H2,1H3
InChIKeyTWFLYZYNUNEXRE-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.38
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115829955) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115829955
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-20-14-6-5-9(7-12(14)18)8-13(19)10-3-2-4-11(16)15(10)17/h2-7,13H,8,19H2,1H3
InChIKeyTWFLYZYNUNEXRE-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105122098
1-(2-chlorophenyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62604347
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558
1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829625

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115829955) is 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is TWFLYZYNUNEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-20-14-6-5-9(7-12(14)18)8-13(19)10-3-2-4-11(16)15(10)17/h2-7,13H,8,19H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 314.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115829955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).