2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol

C14H17NO2 — CID 55025105

IUPAC2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
SMILESCc1cc(C)cc(NCC(O)c2ccco2)c1
InChIInChI=1S/C14H17NO2/c1-10-6-11(2)8-12(7-10)15-9-13(16)14-4-3-5-17-14/h3-8,13,15-16H,9H2,1-2H3
InChIKeyZEMAFOAOCZGEKN-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol

2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol (PubChem CID 55025105) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
PubChem CID55025105
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
SMILESCc1cc(C)cc(NCC(O)c2ccco2)c1
InChIInChI=1S/C14H17NO2/c1-10-6-11(2)8-12(7-10)15-9-13(16)14-4-3-5-17-14/h3-8,13,15-16H,9H2,1-2H3
InChIKeyZEMAFOAOCZGEKN-UHFFFAOYSA-N
XLogP3.04
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
CID 114260364
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
CID 60898863
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993461
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
(1S)-1-(furan-2-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 97351936
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol (CID 55025105) is 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol is Cc1cc(C)cc(NCC(O)c2ccco2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol?
The InChIKey is ZEMAFOAOCZGEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-6-11(2)8-12(7-10)15-9-13(16)14-4-3-5-17-14/h3-8,13,15-16H,9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol?
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol has a molecular weight of 231.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol is sourced from PubChem (CID 55025105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).