1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine

C15H15BrCl2N2 — CID 107946091

IUPAC1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H15BrCl2N2/c1-2-20-15(7-10-3-4-19-9-14(10)18)11-5-12(16)8-13(17)6-11/h3-6,8-9,15,20H,2,7H2,1H3
InChIKeyLZJROEFWKFXDLC-UHFFFAOYSA-N
MW374.11 g/mol
LogP5.04
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine

1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine (PubChem CID 107946091) has the molecular formula C15H15BrCl2N2 and a molecular weight of 374.11 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
PubChem CID107946091
Molecular FormulaC15H15BrCl2N2
Molecular Weight374.11 g/mol
Exact Mass371.98
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H15BrCl2N2/c1-2-20-15(7-10-3-4-19-9-14(10)18)11-5-12(16)8-13(17)6-11/h3-6,8-9,15,20H,2,7H2,1H3
InChIKeyLZJROEFWKFXDLC-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine (CID 107946091) is 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccncc1Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The InChIKey is LZJROEFWKFXDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2/c1-2-20-15(7-10-3-4-19-9-14(10)18)11-5-12(16)8-13(17)6-11/h3-6,8-9,15,20H,2,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine has a molecular weight of 374.11 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 107946091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).