2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine

C17H18BrCl2N — CID 105037683

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H18BrCl2N/c1-3-21-17(13-6-11(2)7-15(19)8-13)9-12-4-5-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyXQFWGGPDDNDRIP-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.96
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine (PubChem CID 105037683) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
PubChem CID105037683
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H18BrCl2N/c1-3-21-17(13-6-11(2)7-15(19)8-13)9-12-4-5-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyXQFWGGPDDNDRIP-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503761
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(4-bromo-2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105037758

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine (CID 105037683) is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1Cl)c1cc(C)cc(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The InChIKey is XQFWGGPDDNDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-3-21-17(13-6-11(2)7-15(19)8-13)9-12-4-5-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine has a molecular weight of 387.15 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105037683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).