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

C15H19NO3 — CID 43743871

IUPAC5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
SMILESCOc1ccc(NC(C)CCc2ccco2)cc1O
InChIInChI=1S/C15H19NO3/c1-11(5-7-13-4-3-9-19-13)16-12-6-8-15(18-2)14(17)10-12/h3-4,6,8-11,16-17H,5,7H2,1-2H3
InChIKeyLZSPJYUSKARKOY-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.43
Rot. Bonds6

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

5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol (PubChem CID 43743871) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
PubChem CID43743871
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
SMILESCOc1ccc(NC(C)CCc2ccco2)cc1O
InChIInChI=1S/C15H19NO3/c1-11(5-7-13-4-3-9-19-13)16-12-6-8-15(18-2)14(17)10-12/h3-4,6,8-11,16-17H,5,7H2,1-2H3
InChIKeyLZSPJYUSKARKOY-UHFFFAOYSA-N
XLogP3.43
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.43
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-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol?
The IUPAC name of 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol (CID 43743871) is 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol.
What is the SMILES notation for 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol?
The canonical SMILES for 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol is COc1ccc(NC(C)CCc2ccco2)cc1O.
What is the InChIKey of 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol?
The InChIKey is LZSPJYUSKARKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(5-7-13-4-3-9-19-13)16-12-6-8-15(18-2)14(17)10-12/h3-4,6,8-11,16-17H,5,7H2,1-2H3.
What are the key properties of 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol?
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol is sourced from PubChem (CID 43743871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).