1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine

C15H15Cl2NO — CID 79698284

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-19-15-9-11(6-7-13(15)17)14(18)8-10-4-2-3-5-12(10)16/h2-7,9,14H,8,18H2,1H3
InChIKeyRHLNDYFBKMZKIZ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine

1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine (PubChem CID 79698284) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
PubChem CID79698284
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-19-15-9-11(6-7-13(15)17)14(18)8-10-4-2-3-5-12(10)16/h2-7,9,14H,8,18H2,1H3
InChIKeyRHLNDYFBKMZKIZ-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 79700846
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine (CID 79698284) is 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine is COc1cc(C(N)Cc2ccccc2Cl)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is RHLNDYFBKMZKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-19-15-9-11(6-7-13(15)17)14(18)8-10-4-2-3-5-12(10)16/h2-7,9,14H,8,18H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 79698284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).