[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol

C17H23NO3 — CID 60980334

IUPAC[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)CCc2ccco2)cc1CO
InChIInChI=1S/C17H23NO3/c1-3-20-17-9-7-15(11-14(17)12-19)18-13(2)6-8-16-5-4-10-21-16/h4-5,7,9-11,13,18-19H,3,6,8,12H2,1-2H3
InChIKeyBZWJDXIWXPOANG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.60
Rot. Bonds8

About [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol

[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol (PubChem CID 60980334) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
PubChem CID60980334
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)CCc2ccco2)cc1CO
InChIInChI=1S/C17H23NO3/c1-3-20-17-9-7-15(11-14(17)12-19)18-13(2)6-8-16-5-4-10-21-16/h4-5,7,9-11,13,18-19H,3,6,8,12H2,1-2H3
InChIKeyBZWJDXIWXPOANG-UHFFFAOYSA-N
XLogP3.60
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
CID 110900380
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094403

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol (CID 60980334) is [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol is CCOc1ccc(NC(C)CCc2ccco2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol?
The InChIKey is BZWJDXIWXPOANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-20-17-9-7-15(11-14(17)12-19)18-13(2)6-8-16-5-4-10-21-16/h4-5,7,9-11,13,18-19H,3,6,8,12H2,1-2H3.
What are the key properties of [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol?
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol has a molecular weight of 289.38 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol is sourced from PubChem (CID 60980334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).