2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine

C17H19BrClN — CID 115787466

IUPAC2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cc(Cl)ccc1C
InChIInChI=1S/C17H19BrClN/c1-3-20-17(10-13-6-4-5-7-16(13)18)15-11-14(19)9-8-12(15)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyUBASASABMXEOEK-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.30
Rot. Bonds5

About 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine

2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine (PubChem CID 115787466) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
PubChem CID115787466
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cc(Cl)ccc1C
InChIInChI=1S/C17H19BrClN/c1-3-20-17(10-13-6-4-5-7-16(13)18)15-11-14(19)9-8-12(15)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyUBASASABMXEOEK-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine (CID 115787466) is 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Br)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
The InChIKey is UBASASABMXEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-20-17(10-13-6-4-5-7-16(13)18)15-11-14(19)9-8-12(15)2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115787466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).