1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

C15H13Br2Cl2NO — CID 114369248

IUPAC1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2Cl2NO/c1-20-15(9-5-8(16)3-4-11(9)17)10-6-13(19)14(21-2)7-12(10)18/h3-7,15,20H,1-2H3
InChIKeyFPHYMKUHXFLILF-UHFFFAOYSA-N
MW453.99 g/mol
LogP5.84
Rot. Bonds4

About 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 114369248) has the molecular formula C15H13Br2Cl2NO and a molecular weight of 453.99 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID114369248
Molecular FormulaC15H13Br2Cl2NO
Molecular Weight453.99 g/mol
Exact Mass450.87
IUPAC Name1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2Cl2NO/c1-20-15(9-5-8(16)3-4-11(9)17)10-6-13(19)14(21-2)7-12(10)18/h3-7,15,20H,1-2H3
InChIKeyFPHYMKUHXFLILF-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.99
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine 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-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107982118
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107961280
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (CID 114369248) is 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)c(OC)cc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FPHYMKUHXFLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl2NO/c1-20-15(9-5-8(16)3-4-11(9)17)10-6-13(19)14(21-2)7-12(10)18/h3-7,15,20H,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 453.99 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 114369248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).