[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol

C15H19NO4 — CID 64580720

IUPAC[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
SMILESCCOc1cc(NCc2ccc(CO)o2)ccc1OC
InChIInChI=1S/C15H19NO4/c1-3-19-15-8-11(4-7-14(15)18-2)16-9-12-5-6-13(10-17)20-12/h4-8,16-17H,3,9-10H2,1-2H3
InChIKeyFTALNOCAQLZFHG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.79
Rot. Bonds7

About [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol

[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol (PubChem CID 64580720) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
PubChem CID64580720
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
SMILESCCOc1cc(NCc2ccc(CO)o2)ccc1OC
InChIInChI=1S/C15H19NO4/c1-3-19-15-8-11(4-7-14(15)18-2)16-9-12-5-6-13(10-17)20-12/h4-8,16-17H,3,9-10H2,1-2H3
InChIKeyFTALNOCAQLZFHG-UHFFFAOYSA-N
XLogP2.79
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
CID 64580358
[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578423
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
4-ethoxy-3-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 112685476

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol (CID 64580720) is [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol is CCOc1cc(NCc2ccc(CO)o2)ccc1OC.
What is the InChIKey of [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol?
The InChIKey is FTALNOCAQLZFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-19-15-8-11(4-7-14(15)18-2)16-9-12-5-6-13(10-17)20-12/h4-8,16-17H,3,9-10H2,1-2H3.
What are the key properties of [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol?
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol has a molecular weight of 277.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64580720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).