1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine

C18H21BrClN — CID 106867000

IUPAC1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1C
InChIInChI=1S/C18H21BrClN/c1-4-21-18(16-8-7-15(19)10-13(16)3)11-14-6-5-12(2)9-17(14)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeySPDHUXXJEGWIMO-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.61
Rot. Bonds5

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

1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine (PubChem CID 106867000) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
PubChem CID106867000
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1C
InChIInChI=1S/C18H21BrClN/c1-4-21-18(16-8-7-15(19)10-13(16)3)11-14-6-5-12(2)9-17(14)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeySPDHUXXJEGWIMO-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine (CID 106867000) is 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is SPDHUXXJEGWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-4-21-18(16-8-7-15(19)10-13(16)3)11-14-6-5-12(2)9-17(14)20/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine has a molecular weight of 366.73 g/mol, XLogP of 5.61, 5 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-chloro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 106867000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).