2-(4-amino-N-propan-2-ylanilino)ethanol

C11H18N2O — CID 18793769

IUPAC2-(4-amino-N-propan-2-ylanilino)ethanol
SMILESCC(C)N(CCO)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-9(2)13(7-8-14)11-5-3-10(12)4-6-11/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeyPBQYEHNIRRYALZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-amino-N-propan-2-ylanilino)ethanol

2-(4-amino-N-propan-2-ylanilino)ethanol (PubChem CID 18793769) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(4-amino-N-propan-2-ylanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-propan-2-ylanilino)ethanol
PubChem CID18793769
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(4-amino-N-propan-2-ylanilino)ethanol
SMILESCC(C)N(CCO)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-9(2)13(7-8-14)11-5-3-10(12)4-6-11/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeyPBQYEHNIRRYALZ-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propan-2-ylanilino)ethanol?
The IUPAC name of 2-(4-amino-N-propan-2-ylanilino)ethanol (CID 18793769) is 2-(4-amino-N-propan-2-ylanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-propan-2-ylanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-propan-2-ylanilino)ethanol is CC(C)N(CCO)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-propan-2-ylanilino)ethanol?
The InChIKey is PBQYEHNIRRYALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)13(7-8-14)11-5-3-10(12)4-6-11/h3-6,9,14H,7-8,12H2,1-2H3.
What are the key properties of 2-(4-amino-N-propan-2-ylanilino)ethanol?
2-(4-amino-N-propan-2-ylanilino)ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propan-2-ylanilino)ethanol is sourced from PubChem (CID 18793769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).