2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol

C17H21NO3 — CID 107712095

IUPAC2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
SMILESCCCOc1cc(N)cc(Oc2ccccc2CCO)c1
InChIInChI=1S/C17H21NO3/c1-2-9-20-15-10-14(18)11-16(12-15)21-17-6-4-3-5-13(17)7-8-19/h3-6,10-12,19H,2,7-9,18H2,1H3
InChIKeyMAQRONKGRPMEKV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.38
Rot. Bonds7

About 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol

2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol (PubChem CID 107712095) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
PubChem CID107712095
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
SMILESCCCOc1cc(N)cc(Oc2ccccc2CCO)c1
InChIInChI=1S/C17H21NO3/c1-2-9-20-15-10-14(18)11-16(12-15)21-17-6-4-3-5-13(17)7-8-19/h3-6,10-12,19H,2,7-9,18H2,1H3
InChIKeyMAQRONKGRPMEKV-UHFFFAOYSA-N
XLogP3.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
3-(2,4-dichlorophenoxy)-5-propoxyaniline
CID 80748821
2-(2-pentoxyphenyl)ethanol
CID 91657515
3-(2-ethylphenoxy)-5-methylaniline
CID 112648419
3-(4-bromo-2-fluorophenoxy)-5-propoxyaniline
CID 80748838
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline
CID 103174344
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
3-N-[(2-methylphenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80730750
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol (CID 107712095) is 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol is CCCOc1cc(N)cc(Oc2ccccc2CCO)c1.
What is the InChIKey of 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol?
The InChIKey is MAQRONKGRPMEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-9-20-15-10-14(18)11-16(12-15)21-17-6-4-3-5-13(17)7-8-19/h3-6,10-12,19H,2,7-9,18H2,1H3.
What are the key properties of 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol?
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol has a molecular weight of 287.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol is sourced from PubChem (CID 107712095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).