1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol

C17H21NO3 — CID 62269877

IUPAC1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
SMILESCCCOc1ccc(OCC(O)c2ccccc2N)cc1
InChIInChI=1S/C17H21NO3/c1-2-11-20-13-7-9-14(10-8-13)21-12-17(19)15-5-3-4-6-16(15)18/h3-10,17,19H,2,11-12,18H2,1H3
InChIKeyRLYGGMWVXBJJCK-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds7

About 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol

1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol (PubChem CID 62269877) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
PubChem CID62269877
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
SMILESCCCOc1ccc(OCC(O)c2ccccc2N)cc1
InChIInChI=1S/C17H21NO3/c1-2-11-20-13-7-9-14(10-8-13)21-12-17(19)15-5-3-4-6-16(15)18/h3-10,17,19H,2,11-12,18H2,1H3
InChIKeyRLYGGMWVXBJJCK-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926
1-(2-aminophenyl)-2-(4-chloro-3-ethylphenoxy)ethanol
CID 62268105
2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
CID 71616839
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
1-(2-methoxyphenyl)-2-(4-propylphenoxy)ethanol
CID 62549968
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
CID 63216911
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid
CID 10269121
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol (CID 62269877) is 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol is CCCOc1ccc(OCC(O)c2ccccc2N)cc1.
What is the InChIKey of 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol?
The InChIKey is RLYGGMWVXBJJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-11-20-13-7-9-14(10-8-13)21-12-17(19)15-5-3-4-6-16(15)18/h3-10,17,19H,2,11-12,18H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol?
1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol has a molecular weight of 287.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol is sourced from PubChem (CID 62269877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).