1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine

C15H16BrClN2 — CID 107946692

IUPAC1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H16BrClN2/c1-2-19-15(6-11-4-3-5-18-10-11)12-7-13(16)9-14(17)8-12/h3-5,7-10,15,19H,2,6H2,1H3
InChIKeySDDHVGMAVSUJCV-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.39
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 107946692) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID107946692
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H16BrClN2/c1-2-19-15(6-11-4-3-5-18-10-11)12-7-13(16)9-14(17)8-12/h3-5,7-10,15,19H,2,6H2,1H3
InChIKeySDDHVGMAVSUJCV-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736768
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
CID 105034670

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine (CID 107946692) is 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is SDDHVGMAVSUJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-2-19-15(6-11-4-3-5-18-10-11)12-7-13(16)9-14(17)8-12/h3-5,7-10,15,19H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 339.66 g/mol, XLogP of 4.39, 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)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 107946692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).