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

C16H18BrFN2 — CID 62600577

IUPAC1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
SMILESCCNC(Cc1ccccn1)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H18BrFN2/c1-2-19-15(11-14-5-3-4-8-20-14)9-12-6-7-13(18)10-16(12)17/h3-8,10,15,19H,2,9,11H2,1H3
InChIKeyBMZWZWTXFVGSJU-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.75
Rot. Bonds6

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

1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 62600577) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
PubChem CID62600577
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
SMILESCCNC(Cc1ccccn1)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H18BrFN2/c1-2-19-15(11-14-5-3-4-8-20-14)9-12-6-7-13(18)10-16(12)17/h3-8,10,15,19H,2,9,11H2,1H3
InChIKeyBMZWZWTXFVGSJU-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-(4-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 62600960
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796544
1-(3,5-dimethylphenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 61028897
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
[1-(2,5-difluorophenyl)-3-pyridin-2-ylpropan-2-yl]hydrazine
CID 105199804
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 62603056

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine (CID 62600577) is 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine is CCNC(Cc1ccccn1)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is BMZWZWTXFVGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-2-19-15(11-14-5-3-4-8-20-14)9-12-6-7-13(18)10-16(12)17/h3-8,10,15,19H,2,9,11H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine?
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-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-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 62600577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).