2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine

C16H17BrClNO — CID 63414513

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19-15(11-3-6-14(18)7-4-11)10-12-9-13(17)5-8-16(12)20-2/h3-9,15,19H,10H2,1-2H3
InChIKeyXKHSYZQEKBLTOJ-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine

2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 63414513) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID63414513
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19-15(11-3-6-14(18)7-4-11)10-12-9-13(17)5-8-16(12)20-2/h3-9,15,19H,10H2,1-2H3
InChIKeyXKHSYZQEKBLTOJ-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115817291
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 66426032
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
CID 105290205
[2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105290134
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine (CID 63414513) is 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1OC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is XKHSYZQEKBLTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-15(11-3-6-14(18)7-4-11)10-12-9-13(17)5-8-16(12)20-2/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).