1-(2-aminophenyl)-2-(cyclopropylamino)ethanol

C11H16N2O — CID 115019176

IUPAC1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
SMILESNc1ccccc1C(O)CNC1CC1
InChIInChI=1S/C11H16N2O/c12-10-4-2-1-3-9(10)11(14)7-13-8-5-6-8/h1-4,8,11,13-14H,5-7,12H2
InChIKeyQAACYOFCXPMJPZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.05
Rot. Bonds4

About 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol

1-(2-aminophenyl)-2-(cyclopropylamino)ethanol (PubChem CID 115019176) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
PubChem CID115019176
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
SMILESNc1ccccc1C(O)CNC1CC1
InChIInChI=1S/C11H16N2O/c12-10-4-2-1-3-9(10)11(14)7-13-8-5-6-8/h1-4,8,11,13-14H,5-7,12H2
InChIKeyQAACYOFCXPMJPZ-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.05
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-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871
1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 62265241
2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
CID 111466397
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
1-(2-aminophenyl)-2-(4-ethoxypiperidin-1-yl)ethanol
CID 62264585
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
ethyl 4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 110887734

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol (CID 115019176) is 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol is Nc1ccccc1C(O)CNC1CC1.
What is the InChIKey of 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol?
The InChIKey is QAACYOFCXPMJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-4-2-1-3-9(10)11(14)7-13-8-5-6-8/h1-4,8,11,13-14H,5-7,12H2.
What are the key properties of 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol?
1-(2-aminophenyl)-2-(cyclopropylamino)ethanol has a molecular weight of 192.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 115019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).