1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol

C11H18N2O — CID 13187513

IUPAC1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7,12H2,1-2H3
InChIKeyBHURBFXYVURCEV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol

1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 13187513) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID13187513
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7,12H2,1-2H3
InChIKeyBHURBFXYVURCEV-UHFFFAOYSA-N
XLogP1.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol (CID 13187513) is 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is BHURBFXYVURCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7,12H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol?
1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.30, 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-(propan-2-ylamino)ethanol is sourced from PubChem (CID 13187513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).