2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine

C15H14Cl2FNO — CID 105055314

IUPAC2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-20-15-5-4-10(16)7-12(15)14(19)6-9-2-3-11(17)8-13(9)18/h2-5,7-8,14H,6,19H2,1H3
InChIKeyHQLKXTYGBXKTSR-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.38
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine

2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine (PubChem CID 105055314) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
PubChem CID105055314
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-20-15-5-4-10(16)7-12(15)14(19)6-9-2-3-11(17)8-13(9)18/h2-5,7-8,14H,6,19H2,1H3
InChIKeyHQLKXTYGBXKTSR-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

2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine (CID 105055314) is 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine is COc1ccc(Cl)cc1C(N)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
The InChIKey is HQLKXTYGBXKTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-20-15-5-4-10(16)7-12(15)14(19)6-9-2-3-11(17)8-13(9)18/h2-5,7-8,14H,6,19H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-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-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 105055314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).