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

C15H15BrClFN2 — CID 107885135

IUPAC1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1ncccc1Br
InChIInChI=1S/C15H15BrClFN2/c1-2-19-14(15-11(16)4-3-7-20-15)9-10-5-6-12(17)13(18)8-10/h3-8,14,19H,2,9H2,1H3
InChIKeyNJZLSTBRZJZXJW-UHFFFAOYSA-N
MW357.65 g/mol
LogP4.53
Rot. Bonds5

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

1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine (PubChem CID 107885135) has the molecular formula C15H15BrClFN2 and a molecular weight of 357.65 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
PubChem CID107885135
Molecular FormulaC15H15BrClFN2
Molecular Weight357.65 g/mol
Exact Mass356.01
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1ncccc1Br
InChIInChI=1S/C15H15BrClFN2/c1-2-19-14(15-11(16)4-3-7-20-15)9-10-5-6-12(17)13(18)8-10/h3-8,14,19H,2,9H2,1H3
InChIKeyNJZLSTBRZJZXJW-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.65
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-pyridinyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049088
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732781
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine
CID 114012745
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107891675
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039701
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine (CID 107885135) is 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The InChIKey is NJZLSTBRZJZXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2/c1-2-19-14(15-11(16)4-3-7-20-15)9-10-5-6-12(17)13(18)8-10/h3-8,14,19H,2,9H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine has a molecular weight of 357.65 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107885135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).