[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol

C16H19NO3 — CID 107742769

IUPAC[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OC(C)c1ccc(N)cc1
InChIInChI=1S/C16H19NO3/c1-11(13-4-6-14(17)7-5-13)20-15-8-3-12(10-18)9-16(15)19-2/h3-9,11,18H,10,17H2,1-2H3
InChIKeyANPLUQRMZLSHKQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.91
Rot. Bonds5

About [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol

[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol (PubChem CID 107742769) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol
PubChem CID107742769
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OC(C)c1ccc(N)cc1
InChIInChI=1S/C16H19NO3/c1-11(13-4-6-14(17)7-5-13)20-15-8-3-12(10-18)9-16(15)19-2/h3-9,11,18H,10,17H2,1-2H3
InChIKeyANPLUQRMZLSHKQ-UHFFFAOYSA-N
XLogP2.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
4-[1-(4-aminophenyl)ethoxy]-3-methoxybenzonitrile
CID 61261287
2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
CID 83952018
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
4-[1-(2-bromo-4-methylphenoxy)ethyl]aniline
CID 61262605
[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol
CID 107742689
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
CID 107743378
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol (CID 107742769) is [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OC(C)c1ccc(N)cc1.
What is the InChIKey of [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol?
The InChIKey is ANPLUQRMZLSHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(13-4-6-14(17)7-5-13)20-15-8-3-12(10-18)9-16(15)19-2/h3-9,11,18H,10,17H2,1-2H3.
What are the key properties of [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol?
[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol has a molecular weight of 273.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).