1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol

C13H19NO2 — CID 106199970

IUPAC1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
SMILESNc1cccc(C(O)COCCC2CC2)c1
InChIInChI=1S/C13H19NO2/c14-12-3-1-2-11(8-12)13(15)9-16-7-6-10-4-5-10/h1-3,8,10,13,15H,4-7,9,14H2
InChIKeyODTMHPWRHPKAIC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds6

About 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol

1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol (PubChem CID 106199970) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
PubChem CID106199970
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
SMILESNc1cccc(C(O)COCCC2CC2)c1
InChIInChI=1S/C13H19NO2/c14-12-3-1-2-11(8-12)13(15)9-16-7-6-10-4-5-10/h1-3,8,10,13,15H,4-7,9,14H2
InChIKeyODTMHPWRHPKAIC-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
CID 106203994
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol
CID 82828391
1-(3-aminophenyl)-2-[(2-fluorophenyl)methoxy]ethanol
CID 63932629
1-(3-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828468
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol
CID 62268624
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol (CID 106199970) is 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol is Nc1cccc(C(O)COCCC2CC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol?
The InChIKey is ODTMHPWRHPKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-12-3-1-2-11(8-12)13(15)9-16-7-6-10-4-5-10/h1-3,8,10,13,15H,4-7,9,14H2.
What are the key properties of 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol?
1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol is sourced from PubChem (CID 106199970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).