1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride

C11H17ClN2O — CID 163728871

IUPAC1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
SMILESCl.Nc1ccc(C(O)CNC2CC2)cc1
InChIInChI=1S/C11H16N2O.ClH/c12-9-3-1-8(2-4-9)11(14)7-13-10-5-6-10;/h1-4,10-11,13-14H,5-7,12H2;1H
InChIKeyKXWVHWHYQBIOAI-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.48
Rot. Bonds4

About 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride

1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride (PubChem CID 163728871) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
PubChem CID163728871
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
SMILESCl.Nc1ccc(C(O)CNC2CC2)cc1
InChIInChI=1S/C11H16N2O.ClH/c12-9-3-1-8(2-4-9)11(14)7-13-10-5-6-10;/h1-4,10-11,13-14H,5-7,12H2;1H
InChIKeyKXWVHWHYQBIOAI-UHFFFAOYSA-N
XLogP1.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019176
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 64733261

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride (CID 163728871) is 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride is Cl.Nc1ccc(C(O)CNC2CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
The InChIKey is KXWVHWHYQBIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c12-9-3-1-8(2-4-9)11(14)7-13-10-5-6-10;/h1-4,10-11,13-14H,5-7,12H2;1H.
What are the key properties of 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride is sourced from PubChem (CID 163728871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).