N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C15H17BrFNO — CID 83175760

IUPACN-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H17BrFNO/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3
InChIKeyISEIGPQUNVDROD-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 83175760) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID83175760
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC NameN-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H17BrFNO/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3
InChIKeyISEIGPQUNVDROD-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029882
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
N-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176142
N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
CID 79574917
N-[1-(3-bromo-5-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643264
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
N-[1-(3-bromo-5-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107049735

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 83175760) is N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cc(F)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is ISEIGPQUNVDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3.
What are the key properties of N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 4.46, 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-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83175760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).