2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol

C17H23NO3 — CID 43205399

IUPAC2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC(C)CCc2ccco2)c(O)c1
InChIInChI=1S/C17H23NO3/c1-12(6-7-14-5-4-10-21-14)18-13(2)16-9-8-15(20-3)11-17(16)19/h4-5,8-13,18-19H,6-7H2,1-3H3
InChIKeyFHBVGRZJFNLRKX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.67
Rot. Bonds7

About 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol

2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol (PubChem CID 43205399) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
PubChem CID43205399
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC(C)CCc2ccco2)c(O)c1
InChIInChI=1S/C17H23NO3/c1-12(6-7-14-5-4-10-21-14)18-13(2)16-9-8-15(20-3)11-17(16)19/h4-5,8-13,18-19H,6-7H2,1-3H3
InChIKeyFHBVGRZJFNLRKX-UHFFFAOYSA-N
XLogP3.67
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]benzene-1,3-diol
CID 43205361
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
3-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105082960
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
CID 43692623
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol (CID 43205399) is 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NC(C)CCc2ccco2)c(O)c1.
What is the InChIKey of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol?
The InChIKey is FHBVGRZJFNLRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(6-7-14-5-4-10-21-14)18-13(2)16-9-8-15(20-3)11-17(16)19/h4-5,8-13,18-19H,6-7H2,1-3H3.
What are the key properties of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol?
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol has a molecular weight of 289.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 43205399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).