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

C16H16BrCl2N — CID 115863002

IUPAC1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1ccc(Br)cc1C
InChIInChI=1S/C16H16BrCl2N/c1-10-7-12(17)3-5-14(10)16(20-2)9-11-8-13(18)4-6-15(11)19/h3-8,16,20H,9H2,1-2H3
InChIKeyCULVXQKKZMRTIX-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.57
Rot. Bonds4

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

1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine (PubChem CID 115863002) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
PubChem CID115863002
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1ccc(Br)cc1C
InChIInChI=1S/C16H16BrCl2N/c1-10-7-12(17)3-5-14(10)16(20-2)9-11-8-13(18)4-6-15(11)19/h3-8,16,20H,9H2,1-2H3
InChIKeyCULVXQKKZMRTIX-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 107539162
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine (CID 115863002) is 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1Cl)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is CULVXQKKZMRTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-10-7-12(17)3-5-14(10)16(20-2)9-11-8-13(18)4-6-15(11)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 373.12 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115863002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).