2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine

C17H19BrClN — CID 105038060

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccc(Br)cc1Cl)NC
InChIInChI=1S/C17H19BrClN/c1-3-12-6-4-5-7-15(12)17(20-2)10-13-8-9-14(18)11-16(13)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyDJKDLRLJAJMPMG-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.17
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine (PubChem CID 105038060) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
PubChem CID105038060
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccc(Br)cc1Cl)NC
InChIInChI=1S/C17H19BrClN/c1-3-12-6-4-5-7-15(12)17(20-2)10-13-8-9-14(18)11-16(13)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyDJKDLRLJAJMPMG-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 113471238
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine (CID 105038060) is 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine is CCc1ccccc1C(Cc1ccc(Br)cc1Cl)NC.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The InChIKey is DJKDLRLJAJMPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-12-6-4-5-7-15(12)17(20-2)10-13-8-9-14(18)11-16(13)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.17, 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-(2-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 105038060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).