N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine

C16H18BrFN2 — CID 104736468

IUPACN-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-2-5-20-16(7-12-4-3-6-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,6,8-11,16,20H,2,5,7H2,1H3
InChIKeyQKODMXXWXQLNFR-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 104736468) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID104736468
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC NameN-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-2-5-20-16(7-12-4-3-6-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,6,8-11,16,20H,2,5,7H2,1H3
InChIKeyQKODMXXWXQLNFR-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

N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
N-[1-(3-bromo-5-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643264
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 104736468) is N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1cc(F)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is QKODMXXWXQLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-2-5-20-16(7-12-4-3-6-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,6,8-11,16,20H,2,5,7H2,1H3.
What are the key properties of N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-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 N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 104736468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).