1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine

C16H18BrFN2 — CID 62603056

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
SMILESCCNC(Cc1ccncc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H18BrFN2/c1-2-20-15(9-12-5-7-19-8-6-12)11-13-10-14(18)3-4-16(13)17/h3-8,10,15,20H,2,9,11H2,1H3
InChIKeyAGLNATAVRUGJOM-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine

1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 62603056) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
PubChem CID62603056
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
SMILESCCNC(Cc1ccncc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H18BrFN2/c1-2-20-15(9-12-5-7-19-8-6-12)11-13-10-14(18)3-4-16(13)17/h3-8,10,15,20H,2,9,11H2,1H3
InChIKeyAGLNATAVRUGJOM-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 62605292
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105136708
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine (CID 62603056) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine is CCNC(Cc1ccncc1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is AGLNATAVRUGJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-2-20-15(9-12-5-7-19-8-6-12)11-13-10-14(18)3-4-16(13)17/h3-8,10,15,20H,2,9,11H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 337.24 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 62603056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).