[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol

C14H17NO4 — CID 64578003

IUPAC[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
SMILESCOc1cc(NCc2ccc(CO)o2)cc(OC)c1
InChIInChI=1S/C14H17NO4/c1-17-13-5-10(6-14(7-13)18-2)15-8-11-3-4-12(9-16)19-11/h3-7,15-16H,8-9H2,1-2H3
InChIKeyNSZWMLYBWHTCKZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.40
Rot. Bonds6

About [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol

[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol (PubChem CID 64578003) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
PubChem CID64578003
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
SMILESCOc1cc(NCc2ccc(CO)o2)cc(OC)c1
InChIInChI=1S/C14H17NO4/c1-17-13-5-10(6-14(7-13)18-2)15-8-11-3-4-12(9-16)19-11/h3-7,15-16H,8-9H2,1-2H3
InChIKeyNSZWMLYBWHTCKZ-UHFFFAOYSA-N
XLogP2.40
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578423
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
CID 64580358
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-5-nitroaniline
CID 80723923
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol (CID 64578003) is [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol is COc1cc(NCc2ccc(CO)o2)cc(OC)c1.
What is the InChIKey of [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol?
The InChIKey is NSZWMLYBWHTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-13-5-10(6-14(7-13)18-2)15-8-11-3-4-12(9-16)19-11/h3-7,15-16H,8-9H2,1-2H3.
What are the key properties of [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol?
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol has a molecular weight of 263.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).