2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

C15H14BrCl2FN2 — CID 79783679

IUPAC2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Br)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2FN2/c1-2-20-14(15-12(18)7-10(17)8-21-15)6-9-3-4-13(19)11(16)5-9/h3-5,7-8,14,20H,2,6H2,1H3
InChIKeyVCNYWUISUQWGMF-UHFFFAOYSA-N
MW392.10 g/mol
LogP5.18
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (PubChem CID 79783679) has the molecular formula C15H14BrCl2FN2 and a molecular weight of 392.10 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
PubChem CID79783679
Molecular FormulaC15H14BrCl2FN2
Molecular Weight392.10 g/mol
Exact Mass389.97
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Br)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2FN2/c1-2-20-14(15-12(18)7-10(17)8-21-15)6-9-3-4-13(19)11(16)5-9/h3-5,7-8,14,20H,2,6H2,1H3
InChIKeyVCNYWUISUQWGMF-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.10
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182758
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107885135
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 107968020
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (CID 79783679) is 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(Br)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The InChIKey is VCNYWUISUQWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2FN2/c1-2-20-14(15-12(18)7-10(17)8-21-15)6-9-3-4-13(19)11(16)5-9/h3-5,7-8,14,20H,2,6H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine has a molecular weight of 392.10 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 79783679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).