2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol

C17H21NO3 — CID 107712031

IUPAC2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
SMILESCCCOc1cc(Oc2ccccc2CCO)ccc1N
InChIInChI=1S/C17H21NO3/c1-2-11-20-17-12-14(7-8-15(17)18)21-16-6-4-3-5-13(16)9-10-19/h3-8,12,19H,2,9-11,18H2,1H3
InChIKeySZOMDOORKYNQGI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.38
Rot. Bonds7

About 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol

2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol (PubChem CID 107712031) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
PubChem CID107712031
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
SMILESCCCOc1cc(Oc2ccccc2CCO)ccc1N
InChIInChI=1S/C17H21NO3/c1-2-11-20-17-12-14(7-8-15(17)18)21-16-6-4-3-5-13(16)9-10-19/h3-8,12,19H,2,9-11,18H2,1H3
InChIKeySZOMDOORKYNQGI-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-ethoxyphenoxy)phenyl]ethanol
CID 107712098
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
CID 116688595
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
2-(2-pentoxyphenyl)ethanol
CID 91657515
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-(5-bromo-2-methylphenoxy)-2-propoxyaniline
CID 107283362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol (CID 107712031) is 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol is CCCOc1cc(Oc2ccccc2CCO)ccc1N.
What is the InChIKey of 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol?
The InChIKey is SZOMDOORKYNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-11-20-17-12-14(7-8-15(17)18)21-16-6-4-3-5-13(16)9-10-19/h3-8,12,19H,2,9-11,18H2,1H3.
What are the key properties of 2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol?
2-[2-(4-amino-3-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-(4-amino-3-propoxyphenoxy)phenyl]ethanol is sourced from PubChem (CID 107712031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).