1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol

C15H19NO2 — CID 112501576

IUPAC1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
SMILESCCc1ccc(C(O)CNCc2ccco2)cc1
InChIInChI=1S/C15H19NO2/c1-2-12-5-7-13(8-6-12)15(17)11-16-10-14-4-3-9-18-14/h3-9,15-17H,2,10-11H2,1H3
InChIKeyLJSXRFRDZZGDBU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol

1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol (PubChem CID 112501576) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
PubChem CID112501576
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
SMILESCCc1ccc(C(O)CNCc2ccco2)cc1
InChIInChI=1S/C15H19NO2/c1-2-12-5-7-13(8-6-12)15(17)11-16-10-14-4-3-9-18-14/h3-9,15-17H,2,10-11H2,1H3
InChIKeyLJSXRFRDZZGDBU-UHFFFAOYSA-N
XLogP2.67
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
3-(furan-2-yl)-1-(4-propylphenyl)propan-1-ol
CID 105095239
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol (CID 112501576) is 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol is CCc1ccc(C(O)CNCc2ccco2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol?
The InChIKey is LJSXRFRDZZGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-12-5-7-13(8-6-12)15(17)11-16-10-14-4-3-9-18-14/h3-9,15-17H,2,10-11H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol?
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol has a molecular weight of 245.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol is sourced from PubChem (CID 112501576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).