5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol

C15H19NO3 — CID 43432891

IUPAC5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC(C)Cc2ccco2)cc1O
InChIInChI=1S/C15H19NO3/c1-11(8-13-4-3-7-19-13)16-10-12-5-6-15(18-2)14(17)9-12/h3-7,9,11,16-17H,8,10H2,1-2H3
InChIKeyZPHYWOFRWWNERY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.71
Rot. Bonds6

About 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol

5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol (PubChem CID 43432891) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
PubChem CID43432891
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC(C)Cc2ccco2)cc1O
InChIInChI=1S/C15H19NO3/c1-11(8-13-4-3-7-19-13)16-10-12-5-6-15(18-2)14(17)9-12/h3-7,9,11,16-17H,8,10H2,1-2H3
InChIKeyZPHYWOFRWWNERY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]-2-methoxyphenol
CID 115660415
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 104791634
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
2-fluoro-5-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzonitrile
CID 107880104
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
CID 47008363
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol (CID 43432891) is 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol is COc1ccc(CNC(C)Cc2ccco2)cc1O.
What is the InChIKey of 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol?
The InChIKey is ZPHYWOFRWWNERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(8-13-4-3-7-19-13)16-10-12-5-6-15(18-2)14(17)9-12/h3-7,9,11,16-17H,8,10H2,1-2H3.
What are the key properties of 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol?
5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 43432891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).