[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol

C13H14BrNO3 — CID 64591606

IUPAC[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
SMILESCOc1ccc(Br)cc1NCc1ccc(CO)o1
InChIInChI=1S/C13H14BrNO3/c1-17-13-5-2-9(14)6-12(13)15-7-10-3-4-11(8-16)18-10/h2-6,15-16H,7-8H2,1H3
InChIKeyXWNTXXRWBYUBKH-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.16
Rot. Bonds5

About [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol

[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol (PubChem CID 64591606) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
PubChem CID64591606
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
SMILESCOc1ccc(Br)cc1NCc1ccc(CO)o1
InChIInChI=1S/C13H14BrNO3/c1-17-13-5-2-9(14)6-12(13)15-7-10-3-4-11(8-16)18-10/h2-6,15-16H,7-8H2,1H3
InChIKeyXWNTXXRWBYUBKH-UHFFFAOYSA-N
XLogP3.16
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(5-bromo-2-chloroanilino)methyl]furan-2-yl]methanol
CID 64591430
[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
CID 64579776
[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
CID 64580358
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887609
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63426533
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720

Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol (CID 64591606) is [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol is COc1ccc(Br)cc1NCc1ccc(CO)o1.
What is the InChIKey of [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol?
The InChIKey is XWNTXXRWBYUBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-17-13-5-2-9(14)6-12(13)15-7-10-3-4-11(8-16)18-10/h2-6,15-16H,7-8H2,1H3.
What are the key properties of [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol?
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol has a molecular weight of 312.16 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64591606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).