2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol

C16H21NO3 — CID 107708617

IUPAC2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol
SMILESCc1ccc(C(Oc2ccc(CCO)cc2)C(C)N)o1
InChIInChI=1S/C16H21NO3/c1-11-3-8-15(19-11)16(12(2)17)20-14-6-4-13(5-7-14)9-10-18/h3-8,12,16,18H,9-10,17H2,1-2H3
InChIKeyHMZZRTWZFYZBAF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol

2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol (PubChem CID 107708617) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol
PubChem CID107708617
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol
SMILESCc1ccc(C(Oc2ccc(CCO)cc2)C(C)N)o1
InChIInChI=1S/C16H21NO3/c1-11-3-8-15(19-11)16(12(2)17)20-14-6-4-13(5-7-14)9-10-18/h3-8,12,16,18H,9-10,17H2,1-2H3
InChIKeyHMZZRTWZFYZBAF-UHFFFAOYSA-N
XLogP2.59
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107722833
2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol
CID 107708523
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
1-(4-bromo-2,5-dichlorophenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107656076
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
CID 103176978
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
2-(4-hexan-2-yloxyphenyl)ethanol
CID 123674677
[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
2-(4-trimethylsilyloxyphenyl)ethanol
CID 167738071
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol (CID 107708617) is 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol is Cc1ccc(C(Oc2ccc(CCO)cc2)C(C)N)o1.
What is the InChIKey of 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol?
The InChIKey is HMZZRTWZFYZBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-3-8-15(19-11)16(12(2)17)20-14-6-4-13(5-7-14)9-10-18/h3-8,12,16,18H,9-10,17H2,1-2H3.
What are the key properties of 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol?
2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol is sourced from PubChem (CID 107708617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).