[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol

C15H19NO4 — CID 64578423

IUPAC[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
SMILESCOCCOc1ccc(NCc2ccc(CO)o2)cc1
InChIInChI=1S/C15H19NO4/c1-18-8-9-19-13-4-2-12(3-5-13)16-10-14-6-7-15(11-17)20-14/h2-7,16-17H,8-11H2,1H3
InChIKeyKPOSQUIQUSLDSZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.41
Rot. Bonds8

About [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol

[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol (PubChem CID 64578423) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
PubChem CID64578423
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
SMILESCOCCOc1ccc(NCc2ccc(CO)o2)cc1
InChIInChI=1S/C15H19NO4/c1-18-8-9-19-13-4-2-12(3-5-13)16-10-14-6-7-15(11-17)20-14/h2-7,16-17H,8-11H2,1H3
InChIKeyKPOSQUIQUSLDSZ-UHFFFAOYSA-N
XLogP2.41
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317279
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol
CID 75430440
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol (CID 64578423) is [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol is COCCOc1ccc(NCc2ccc(CO)o2)cc1.
What is the InChIKey of [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol?
The InChIKey is KPOSQUIQUSLDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-8-9-19-13-4-2-12(3-5-13)16-10-14-6-7-15(11-17)20-14/h2-7,16-17H,8-11H2,1H3.
What are the key properties of [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol?
[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol has a molecular weight of 277.32 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).