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

C16H21NO2 — CID 43205349

IUPAC2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
SMILESCC(CCc1ccco1)NC(C)c1ccccc1O
InChIInChI=1S/C16H21NO2/c1-12(9-10-14-6-5-11-19-14)17-13(2)15-7-3-4-8-16(15)18/h3-8,11-13,17-18H,9-10H2,1-2H3
InChIKeyXJTOQXRKKKWXJF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.66
Rot. Bonds6

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

2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol (PubChem CID 43205349) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
PubChem CID43205349
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
SMILESCC(CCc1ccco1)NC(C)c1ccccc1O
InChIInChI=1S/C16H21NO2/c1-12(9-10-14-6-5-11-19-14)17-13(2)15-7-3-4-8-16(15)18/h3-8,11-13,17-18H,9-10H2,1-2H3
InChIKeyXJTOQXRKKKWXJF-UHFFFAOYSA-N
XLogP3.66
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol?
The IUPAC name of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol (CID 43205349) is 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol is CC(CCc1ccco1)NC(C)c1ccccc1O.
What is the InChIKey of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol?
The InChIKey is XJTOQXRKKKWXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(9-10-14-6-5-11-19-14)17-13(2)15-7-3-4-8-16(15)18/h3-8,11-13,17-18H,9-10H2,1-2H3.
What are the key properties of 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol?
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 43205349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).