1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine

C16H18BrFN2 — CID 106647869

IUPAC1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cccc(Br)c1F
InChIInChI=1S/C16H18BrFN2/c1-2-20-15(9-8-12-5-4-10-19-11-12)13-6-3-7-14(17)16(13)18/h3-7,10-11,15,20H,2,8-9H2,1H3
InChIKeyLIGNTMPPSILGKK-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.27
Rot. Bonds6

About 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine

1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 106647869) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
PubChem CID106647869
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cccc(Br)c1F
InChIInChI=1S/C16H18BrFN2/c1-2-20-15(9-8-12-5-4-10-19-11-12)13-6-3-7-14(17)16(13)18/h3-7,10-11,15,20H,2,8-9H2,1H3
InChIKeyLIGNTMPPSILGKK-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 106648197
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
[1-(3-bromo-2-fluorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 106648787
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034516
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106646599

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine (CID 106647869) is 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine is CCNC(CCc1cccnc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is LIGNTMPPSILGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-2-20-15(9-8-12-5-4-10-19-11-12)13-6-3-7-14(17)16(13)18/h3-7,10-11,15,20H,2,8-9H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 337.24 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 106647869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).