1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol

C17H21NO3 — CID 107663977

IUPAC1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
SMILESCCc1ccc(OCC(O)c2cccc(N)c2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-3-12-7-8-16(17(9-12)20-2)21-11-15(19)13-5-4-6-14(18)10-13/h4-10,15,19H,3,11,18H2,1-2H3
InChIKeyCUMDJHGAJBRKCH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.95
Rot. Bonds6

About 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol

1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol (PubChem CID 107663977) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
PubChem CID107663977
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
SMILESCCc1ccc(OCC(O)c2cccc(N)c2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-3-12-7-8-16(17(9-12)20-2)21-11-15(19)13-5-4-6-14(18)10-13/h4-10,15,19H,3,11,18H2,1-2H3
InChIKeyCUMDJHGAJBRKCH-UHFFFAOYSA-N
XLogP2.95
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.95
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-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
CID 103865817
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
[(2R)-1-hydroxybutan-2-yl]-[[4-[(2R)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]azanium
CID 7379156
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
2-[[4-(2-hydroxy-2-phenylethoxy)-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 2987379
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol
CID 2991831
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
CID 107667812
1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
CID 107664512

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol (CID 107663977) is 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol is CCc1ccc(OCC(O)c2cccc(N)c2)c(OC)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol?
The InChIKey is CUMDJHGAJBRKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-12-7-8-16(17(9-12)20-2)21-11-15(19)13-5-4-6-14(18)10-13/h4-10,15,19H,3,11,18H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol?
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol is sourced from PubChem (CID 107663977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).