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

C16H18BrFN2 — CID 105111510

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-19-14(6-4-12-3-2-8-20-11-12)9-13-5-7-16(18)15(17)10-13/h2-3,5,7-8,10-11,14,19H,4,6,9H2,1H3
InChIKeyHQRMBYHTSHWMEF-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.75
Rot. Bonds6

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

1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105111510) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105111510
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-19-14(6-4-12-3-2-8-20-11-12)9-13-5-7-16(18)15(17)10-13/h2-3,5,7-8,10-11,14,19H,4,6,9H2,1H3
InChIKeyHQRMBYHTSHWMEF-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-methyl-4-pyridin-3-ylbutan-2-amine
CID 105136731
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
CID 62318731
1-(3-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 105083823
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine (CID 105111510) is 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine is CNC(CCc1cccnc1)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is HQRMBYHTSHWMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-19-14(6-4-12-3-2-8-20-11-12)9-13-5-7-16(18)15(17)10-13/h2-3,5,7-8,10-11,14,19H,4,6,9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-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-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105111510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).