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

C16H17BrClNO2 — CID 105006891

IUPAC1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrClNO2/c1-19-16(10-4-7-13(18)15(8-10)21-3)12-6-5-11(17)9-14(12)20-2/h4-9,16,19H,1-3H3
InChIKeyUWWMVSLOHUQASV-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.43
Rot. Bonds5

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

1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 105006891) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID105006891
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrClNO2/c1-19-16(10-4-7-13(18)15(8-10)21-3)12-6-5-11(17)9-14(12)20-2/h4-9,16,19H,1-3H3
InChIKeyUWWMVSLOHUQASV-UHFFFAOYSA-N
XLogP4.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135
1-(4-bromo-2-methoxyphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022233
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041705
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine (CID 105006891) is 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(OC)c1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is UWWMVSLOHUQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-19-16(10-4-7-13(18)15(8-10)21-3)12-6-5-11(17)9-14(12)20-2/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 370.67 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105006891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).