2-(4-amino-3-ethoxyphenoxy)ethanol

C10H15NO3 — CID 21422991

IUPAC2-(4-amino-3-ethoxyphenoxy)ethanol
SMILESCCOc1cc(OCCO)ccc1N
InChIInChI=1S/C10H15NO3/c1-2-13-10-7-8(14-6-5-12)3-4-9(10)11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyLQCHNEVUGIAJED-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.04
Rot. Bonds5

About 2-(4-amino-3-ethoxyphenoxy)ethanol

2-(4-amino-3-ethoxyphenoxy)ethanol (PubChem CID 21422991) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxyphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-ethoxyphenoxy)ethanol
PubChem CID21422991
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(4-amino-3-ethoxyphenoxy)ethanol
SMILESCCOc1cc(OCCO)ccc1N
InChIInChI=1S/C10H15NO3/c1-2-13-10-7-8(14-6-5-12)3-4-9(10)11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyLQCHNEVUGIAJED-UHFFFAOYSA-N
XLogP1.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.04
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-ethoxy-4-propoxyaniline
CID 63677806
2-ethoxy-4-pentoxyaniline
CID 63678215
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929
2-(4-amino-3-ethoxyphenyl)sulfanylethanol
CID 63676764
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline
CID 102721653
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
4-octoxy-2-propoxyaniline
CID 63676334

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxyphenoxy)ethanol?
The IUPAC name of 2-(4-amino-3-ethoxyphenoxy)ethanol (CID 21422991) is 2-(4-amino-3-ethoxyphenoxy)ethanol.
What is the SMILES notation for 2-(4-amino-3-ethoxyphenoxy)ethanol?
The canonical SMILES for 2-(4-amino-3-ethoxyphenoxy)ethanol is CCOc1cc(OCCO)ccc1N.
What is the InChIKey of 2-(4-amino-3-ethoxyphenoxy)ethanol?
The InChIKey is LQCHNEVUGIAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-13-10-7-8(14-6-5-12)3-4-9(10)11/h3-4,7,12H,2,5-6,11H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxyphenoxy)ethanol?
2-(4-amino-3-ethoxyphenoxy)ethanol has a molecular weight of 197.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxyphenoxy)ethanol is sourced from PubChem (CID 21422991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).