2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

C17H19Cl2NO — CID 115863105

IUPAC2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-4-5-12(10-17(11)21-3)16(20-2)9-13-8-14(18)6-7-15(13)19/h4-8,10,16,20H,9H2,1-3H3
InChIKeyLDFVLVXJGYOXCG-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.81
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 115863105) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID115863105
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-4-5-12(10-17(11)21-3)16(20-2)9-13-8-14(18)6-7-15(13)19/h4-8,10,16,20H,9H2,1-3H3
InChIKeyLDFVLVXJGYOXCG-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 107891735
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(4-bromo-3-chlorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863277
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755143
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 105412582
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (CID 115863105) is 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1Cl)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is LDFVLVXJGYOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-4-5-12(10-17(11)21-3)16(20-2)9-13-8-14(18)6-7-15(13)19/h4-8,10,16,20H,9H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 324.25 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115863105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).