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

C14H14BrF2NO — CID 106851680

IUPACN-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)c1ccoc1Br
InChIInChI=1S/C14H14BrF2NO/c1-2-6-18-13(10-5-7-19-14(10)15)11-8-9(16)3-4-12(11)17/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeySNYBGBQNUJUJKP-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.41
Rot. Bonds5

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

N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine (PubChem CID 106851680) has the molecular formula C14H14BrF2NO and a molecular weight of 330.17 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
PubChem CID106851680
Molecular FormulaC14H14BrF2NO
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC NameN-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)c1ccoc1Br
InChIInChI=1S/C14H14BrF2NO/c1-2-6-18-13(10-5-7-19-14(10)15)11-8-9(16)3-4-12(11)17/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeySNYBGBQNUJUJKP-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 106851874
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
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-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-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(5-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495638
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine (CID 106851680) is N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1F)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine?
The InChIKey is SNYBGBQNUJUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO/c1-2-6-18-13(10-5-7-19-14(10)15)11-8-9(16)3-4-12(11)17/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine has a molecular weight of 330.17 g/mol, XLogP of 4.41, 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-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106851680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).