[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol

C14H16BrNO3 — CID 64591230

IUPAC[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
SMILESCOCc1c(Br)cccc1NCc1ccc(CO)o1
InChIInChI=1S/C14H16BrNO3/c1-18-9-12-13(15)3-2-4-14(12)16-7-10-5-6-11(8-17)19-10/h2-6,16-17H,7-9H2,1H3
InChIKeyRURJNSOBMXFLMN-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.29
Rot. Bonds6

About [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol

[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol (PubChem CID 64591230) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
PubChem CID64591230
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
SMILESCOCc1c(Br)cccc1NCc1ccc(CO)o1
InChIInChI=1S/C14H16BrNO3/c1-18-9-12-13(15)3-2-4-14(12)16-7-10-5-6-11(8-17)19-10/h2-6,16-17H,7-9H2,1H3
InChIKeyRURJNSOBMXFLMN-UHFFFAOYSA-N
XLogP3.29
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 61167541
3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
3-bromo-2-(methoxymethyl)-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 78943842
3-bromo-2-(methoxymethyl)-N-[(3-methoxyphenyl)methyl]aniline
CID 61166179
2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
CID 61166790
methyl 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoate
CID 64580704
methyl 2-bromo-3-[3-bromo-2-(methoxymethyl)anilino]propanoate
CID 103242753
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61168746

Frequently Asked Questions

What is the IUPAC name of [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol (CID 64591230) is [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol is COCc1c(Br)cccc1NCc1ccc(CO)o1.
What is the InChIKey of [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol?
The InChIKey is RURJNSOBMXFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-18-9-12-13(15)3-2-4-14(12)16-7-10-5-6-11(8-17)19-10/h2-6,16-17H,7-9H2,1H3.
What are the key properties of [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol?
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol has a molecular weight of 326.19 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64591230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).