1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

C15H13BrCl3NO — CID 43480322

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C15H13BrCl3NO/c1-20-14(8-3-4-12(18)13(19)5-8)10-6-9(17)7-11(16)15(10)21-2/h3-7,14,20H,1-2H3
InChIKeyUFGPYKXLCUXKGJ-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.73
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 43480322) has the molecular formula C15H13BrCl3NO and a molecular weight of 409.54 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
PubChem CID43480322
Molecular FormulaC15H13BrCl3NO
Molecular Weight409.54 g/mol
Exact Mass406.92
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C15H13BrCl3NO/c1-20-14(8-3-4-12(18)13(19)5-8)10-6-9(17)7-11(16)15(10)21-2/h3-7,14,20H,1-2H3
InChIKeyUFGPYKXLCUXKGJ-UHFFFAOYSA-N
XLogP5.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43480336
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107960613
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43480257
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (CID 43480322) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is UFGPYKXLCUXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3NO/c1-20-14(8-3-4-12(18)13(19)5-8)10-6-9(17)7-11(16)15(10)21-2/h3-7,14,20H,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 409.54 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43480322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).