2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine

C17H20BrClN2 — CID 107503761

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1cc(C)nc(C)c1
InChIInChI=1S/C17H20BrClN2/c1-4-20-17(14-7-11(2)21-12(3)8-14)9-13-5-6-15(18)10-16(13)19/h5-8,10,17,20H,4,9H2,1-3H3
InChIKeyQBZWXTRRULDFEM-UHFFFAOYSA-N
MW367.72 g/mol
LogP5.01
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine (PubChem CID 107503761) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
PubChem CID107503761
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1cc(C)nc(C)c1
InChIInChI=1S/C17H20BrClN2/c1-4-20-17(14-7-11(2)21-12(3)8-14)9-13-5-6-15(18)10-16(13)19/h5-8,10,17,20H,4,9H2,1-3H3
InChIKeyQBZWXTRRULDFEM-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.72
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
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
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 105037839
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine (CID 107503761) is 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1Cl)c1cc(C)nc(C)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
The InChIKey is QBZWXTRRULDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-4-20-17(14-7-11(2)21-12(3)8-14)9-13-5-6-15(18)10-16(13)19/h5-8,10,17,20H,4,9H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine has a molecular weight of 367.72 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 107503761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).