N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine

C13H12BrF2NO — CID 106851633

IUPACN-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccoc1Br
InChIInChI=1S/C13H12BrF2NO/c1-2-17-12(9-5-6-18-13(9)14)8-3-4-10(15)11(16)7-8/h3-7,12,17H,2H2,1H3
InChIKeyWXBJAWGIWCYMGP-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.02
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 106851633) has the molecular formula C13H12BrF2NO and a molecular weight of 316.15 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
PubChem CID106851633
Molecular FormulaC13H12BrF2NO
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC NameN-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccoc1Br
InChIInChI=1S/C13H12BrF2NO/c1-2-17-12(9-5-6-18-13(9)14)8-3-4-10(15)11(16)7-8/h3-7,12,17H,2H2,1H3
InChIKeyWXBJAWGIWCYMGP-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine (CID 106851633) is N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is WXBJAWGIWCYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO/c1-2-17-12(9-5-6-18-13(9)14)8-3-4-10(15)11(16)7-8/h3-7,12,17H,2H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 316.15 g/mol, XLogP of 4.02, 4 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)-(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 106851633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).