1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

C15H14BrCl2NO — CID 107998666

IUPAC1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-19-15(9-3-6-13(17)12(16)7-9)11-5-4-10(20-2)8-14(11)18/h3-8,15,19H,1-2H3
InChIKeyWWWKIQILCZPTAE-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.07
Rot. Bonds4

About 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 107998666) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID107998666
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-19-15(9-3-6-13(17)12(16)7-9)11-5-4-10(20-2)8-14(11)18/h3-8,15,19H,1-2H3
InChIKeyWWWKIQILCZPTAE-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 115567055
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine (CID 107998666) is 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is WWWKIQILCZPTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-19-15(9-3-6-13(17)12(16)7-9)11-5-4-10(20-2)8-14(11)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 375.09 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107998666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).