1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine

C15H13Br2ClFNO — CID 107951008

IUPAC1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C15H13Br2ClFNO/c1-20-15(8-3-9(16)5-10(18)4-8)11-6-12(17)13(19)7-14(11)21-2/h3-7,15,20H,1-2H3
InChIKeyOOYDAICAWIFTPU-UHFFFAOYSA-N
MW437.53 g/mol
LogP5.32
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 107951008) has the molecular formula C15H13Br2ClFNO and a molecular weight of 437.53 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID107951008
Molecular FormulaC15H13Br2ClFNO
Molecular Weight437.53 g/mol
Exact Mass434.90
IUPAC Name1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C15H13Br2ClFNO/c1-20-15(8-3-9(16)5-10(18)4-8)11-6-12(17)13(19)7-14(11)21-2/h3-7,15,20H,1-2H3
InChIKeyOOYDAICAWIFTPU-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-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-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
CID 107950619
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103394657
1-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65431988
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 103394542
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 103394584
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 103394619
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106852003

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 107951008) is 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Br)c1)c1cc(Br)c(F)cc1OC.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is OOYDAICAWIFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFNO/c1-20-15(8-3-9(16)5-10(18)4-8)11-6-12(17)13(19)7-14(11)21-2/h3-7,15,20H,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 437.53 g/mol, XLogP of 5.32, 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-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107951008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).