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

C16H17BrClNO — CID 65325450

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19-16(11-3-5-13(18)6-4-11)10-12-9-14(20-2)7-8-15(12)17/h3-9,16,19H,10H2,1-2H3
InChIKeyCGKXPLMBRLRSSH-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

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

2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 65325450) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID65325450
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19-16(11-3-5-13(18)6-4-11)10-12-9-14(20-2)7-8-15(12)17/h3-9,16,19H,10H2,1-2H3
InChIKeyCGKXPLMBRLRSSH-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

2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
CID 79441367
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
[2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105309443

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine (CID 65325450) is 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1cc(OC)ccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is CGKXPLMBRLRSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-16(11-3-5-13(18)6-4-11)10-12-9-14(20-2)7-8-15(12)17/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine?
2-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 65325450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).