1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine

C16H17Cl2NO — CID 61079470

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H17Cl2NO/c1-19-15(9-11-5-3-4-6-14(11)18)13-10-12(17)7-8-16(13)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyCTTXGMLBUOIKAP-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.51
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine

1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine (PubChem CID 61079470) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
PubChem CID61079470
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H17Cl2NO/c1-19-15(9-11-5-3-4-6-14(11)18)13-10-12(17)7-8-16(13)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyCTTXGMLBUOIKAP-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209656
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
[1-(5-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312860
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115845077
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
[1-(5-chloro-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105200255
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105137291

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine (CID 61079470) is 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is CTTXGMLBUOIKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19-15(9-11-5-3-4-6-14(11)18)13-10-12(17)7-8-16(13)20-2/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine?
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 61079470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).