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

C15H14Cl2FNO — CID 62797331

IUPAC2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8,14H,7,19H2,1H3
InChIKeyBEZYOVGAMJSVBU-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.38
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 62797331) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID62797331
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8,14H,7,19H2,1H3
InChIKeyBEZYOVGAMJSVBU-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-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 62797331) is 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is BEZYOVGAMJSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(2,4-dichlorophenyl)-1-(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 2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 62797331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).