1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine

C16H18BrFN2 — CID 105172143

IUPAC1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1cccc(F)c1Br
InChIInChI=1S/C16H18BrFN2/c1-19-14(9-8-13-6-2-3-10-20-13)11-12-5-4-7-15(18)16(12)17/h2-7,10,14,19H,8-9,11H2,1H3
InChIKeyAPHPKMNCYYAELE-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine

1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105172143) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105172143
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1cccc(F)c1Br
InChIInChI=1S/C16H18BrFN2/c1-19-14(9-8-13-6-2-3-10-20-13)11-12-5-4-7-15(18)16(12)17/h2-7,10,14,19H,8-9,11H2,1H3
InChIKeyAPHPKMNCYYAELE-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-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105172022
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 116660523
N-methyl-1-pyridin-2-ylhept-6-yn-3-amine
CID 105149167
N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457
1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 105020658
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine (CID 105172143) is 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine is CNC(CCc1ccccn1)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is APHPKMNCYYAELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-19-14(9-8-13-6-2-3-10-20-13)11-12-5-4-7-15(18)16(12)17/h2-7,10,14,19H,8-9,11H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-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-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105172143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).