3-(4-aminophenyl)-2-ethoxypropane-1,1-diol

C11H17NO3 — CID 143824751

IUPAC3-(4-aminophenyl)-2-ethoxypropane-1,1-diol
SMILESCCOC(Cc1ccc(N)cc1)C(O)O
InChIInChI=1S/C11H17NO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10-11,13-14H,2,7,12H2,1H3
InChIKeyCHZMDSWNJAIAHT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.53
Rot. Bonds5

About 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol

3-(4-aminophenyl)-2-ethoxypropane-1,1-diol (PubChem CID 143824751) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol.

Molecular Properties

Compound Name3-(4-aminophenyl)-2-ethoxypropane-1,1-diol
PubChem CID143824751
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(4-aminophenyl)-2-ethoxypropane-1,1-diol
SMILESCCOC(Cc1ccc(N)cc1)C(O)O
InChIInChI=1S/C11H17NO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10-11,13-14H,2,7,12H2,1H3
InChIKeyCHZMDSWNJAIAHT-UHFFFAOYSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-1-ethoxyethanol
CID 54030825
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
CID 79495839
4-(2,2-dimethoxyethyl)aniline
CID 18173527
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
3-(4-aminophenyl)propane-1,2-diol
CID 130130867
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
ethane;1-ethoxy-2-(4-methylphenyl)ethanol
CID 143660250
ethyl (2R)-3-(4-aminophenyl)-2-(propanoylamino)propanoate
CID 154677525
1-(2,3-diethoxy-3-methoxypropyl)-4-methoxybenzene
CID 19891142
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol?
The IUPAC name of 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol (CID 143824751) is 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol.
What is the SMILES notation for 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol?
The canonical SMILES for 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol is CCOC(Cc1ccc(N)cc1)C(O)O.
What is the InChIKey of 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol?
The InChIKey is CHZMDSWNJAIAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10-11,13-14H,2,7,12H2,1H3.
What are the key properties of 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol?
3-(4-aminophenyl)-2-ethoxypropane-1,1-diol has a molecular weight of 211.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2-ethoxypropane-1,1-diol is sourced from PubChem (CID 143824751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).