N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine

C15H16BrF2NO — CID 106851874

IUPACN-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(C)cc1F)c1ccoc1Br
InChIInChI=1S/C15H16BrF2NO/c1-3-5-19-14(10-4-6-20-15(10)16)11-8-12(17)9(2)7-13(11)18/h4,6-8,14,19H,3,5H2,1-2H3
InChIKeyGIWVYXMQILDWHL-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.72
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine (PubChem CID 106851874) has the molecular formula C15H16BrF2NO and a molecular weight of 344.20 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
PubChem CID106851874
Molecular FormulaC15H16BrF2NO
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC NameN-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(C)cc1F)c1ccoc1Br
InChIInChI=1S/C15H16BrF2NO/c1-3-5-19-14(10-4-6-20-15(10)16)11-8-12(17)9(2)7-13(11)18/h4,6-8,14,19H,3,5H2,1-2H3
InChIKeyGIWVYXMQILDWHL-UHFFFAOYSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(3-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302837
N-[(2-bromofuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]propan-1-amine
CID 106851786
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine (CID 106851874) is N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)c(C)cc1F)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is GIWVYXMQILDWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NO/c1-3-5-19-14(10-4-6-20-15(10)16)11-8-12(17)9(2)7-13(11)18/h4,6-8,14,19H,3,5H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 344.20 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106851874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).