[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol

C14H16ClNO3 — CID 54880065

IUPAC[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccc(Cl)o2)cc1CO
InChIInChI=1S/C14H16ClNO3/c1-2-18-13-5-3-11(7-10(13)9-17)16-8-12-4-6-14(15)19-12/h3-7,16-17H,2,8-9H2,1H3
InChIKeyPGMNIOISWITFQD-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.44
Rot. Bonds6

About [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol

[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol (PubChem CID 54880065) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
PubChem CID54880065
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccc(Cl)o2)cc1CO
InChIInChI=1S/C14H16ClNO3/c1-2-18-13-5-3-11(7-10(13)9-17)16-8-12-4-6-14(15)19-12/h3-7,16-17H,2,8-9H2,1H3
InChIKeyPGMNIOISWITFQD-UHFFFAOYSA-N
XLogP3.44
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]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

[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 54880114
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
CID 60980472
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol (CID 54880065) is [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCc2ccc(Cl)o2)cc1CO.
What is the InChIKey of [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol?
The InChIKey is PGMNIOISWITFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-2-18-13-5-3-11(7-10(13)9-17)16-8-12-4-6-14(15)19-12/h3-7,16-17H,2,8-9H2,1H3.
What are the key properties of [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol?
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol has a molecular weight of 281.74 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 54880065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).