1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine

C17H18BrCl2N — CID 65306974

IUPAC1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1C
InChIInChI=1S/C17H18BrCl2N/c1-3-21-17(14-10-13(18)6-4-11(14)2)9-12-5-7-15(19)16(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeySCHRQAVDZJRPMZ-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.96
Rot. Bonds5

About 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine

1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 65306974) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
PubChem CID65306974
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1C
InChIInChI=1S/C17H18BrCl2N/c1-3-21-17(14-10-13(18)6-4-11(14)2)9-12-5-7-15(19)16(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeySCHRQAVDZJRPMZ-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

Analyze 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892554
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
CID 105024448
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine (CID 65306974) is 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is SCHRQAVDZJRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-3-21-17(14-10-13(18)6-4-11(14)2)9-12-5-7-15(19)16(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine?
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-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 1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 65306974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).