[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol

C15H19NO4 — CID 64580358

IUPAC[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
SMILESCOc1cc(C)c(NCc2ccc(CO)o2)cc1OC
InChIInChI=1S/C15H19NO4/c1-10-6-14(18-2)15(19-3)7-13(10)16-8-11-4-5-12(9-17)20-11/h4-7,16-17H,8-9H2,1-3H3
InChIKeyLHEGUYHPSYTPLT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.71
Rot. Bonds6

About [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol

[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol (PubChem CID 64580358) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
PubChem CID64580358
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
SMILESCOc1cc(C)c(NCc2ccc(CO)o2)cc1OC
InChIInChI=1S/C15H19NO4/c1-10-6-14(18-2)15(19-3)7-13(10)16-8-11-4-5-12(9-17)20-11/h4-7,16-17H,8-9H2,1-3H3
InChIKeyLHEGUYHPSYTPLT-UHFFFAOYSA-N
XLogP2.71
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.71
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-[(4,5-dimethoxy-2-methylanilino)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-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60780447
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 64578614
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
2,4-dibromo-5-methoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 103411489
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
CID 64579556
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
[5-[[(2-methoxy-3-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 64579186
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469

Frequently Asked Questions

What is the IUPAC name of [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol (CID 64580358) is [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol is COc1cc(C)c(NCc2ccc(CO)o2)cc1OC.
What is the InChIKey of [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol?
The InChIKey is LHEGUYHPSYTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-6-14(18-2)15(19-3)7-13(10)16-8-11-4-5-12(9-17)20-11/h4-7,16-17H,8-9H2,1-3H3.
What are the key properties of [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol?
[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol has a molecular weight of 277.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64580358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).