1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol

C17H21NO3 — CID 62266291

IUPAC1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
SMILESCOCCc1ccc(OCC(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO3/c1-20-11-10-13-2-8-16(9-3-13)21-12-17(19)14-4-6-15(18)7-5-14/h2-9,17,19H,10-12,18H2,1H3
InChIKeyIGMWFVYAILNRIT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds7

About 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol

1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol (PubChem CID 62266291) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
PubChem CID62266291
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
SMILESCOCCc1ccc(OCC(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO3/c1-20-11-10-13-2-8-16(9-3-13)21-12-17(19)14-4-6-15(18)7-5-14/h2-9,17,19H,10-12,18H2,1H3
InChIKeyIGMWFVYAILNRIT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
CID 123594321
2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
3-[4-(2-methoxyethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64807086
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol (CID 62266291) is 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol is COCCc1ccc(OCC(O)c2ccc(N)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol?
The InChIKey is IGMWFVYAILNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-11-10-13-2-8-16(9-3-13)21-12-17(19)14-4-6-15(18)7-5-14/h2-9,17,19H,10-12,18H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol?
1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol is sourced from PubChem (CID 62266291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).