2-(4-amino-N-cyclobutylanilino)ethanol

C12H18N2O — CID 102859463

IUPAC2-(4-amino-N-cyclobutylanilino)ethanol
SMILESNc1ccc(N(CCO)C2CCC2)cc1
InChIInChI=1S/C12H18N2O/c13-10-4-6-12(7-5-10)14(8-9-15)11-2-1-3-11/h4-7,11,15H,1-3,8-9,13H2
InChIKeyQMYJLUDZLWWEQG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds4

About 2-(4-amino-N-cyclobutylanilino)ethanol

2-(4-amino-N-cyclobutylanilino)ethanol (PubChem CID 102859463) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-amino-N-cyclobutylanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-cyclobutylanilino)ethanol
PubChem CID102859463
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-amino-N-cyclobutylanilino)ethanol
SMILESNc1ccc(N(CCO)C2CCC2)cc1
InChIInChI=1S/C12H18N2O/c13-10-4-6-12(7-5-10)14(8-9-15)11-2-1-3-11/h4-7,11,15H,1-3,8-9,13H2
InChIKeyQMYJLUDZLWWEQG-UHFFFAOYSA-N
XLogP1.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
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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Related Compounds

2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
CID 102624116
2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
CID 63071100

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-cyclobutylanilino)ethanol?
The IUPAC name of 2-(4-amino-N-cyclobutylanilino)ethanol (CID 102859463) is 2-(4-amino-N-cyclobutylanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-cyclobutylanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-cyclobutylanilino)ethanol is Nc1ccc(N(CCO)C2CCC2)cc1.
What is the InChIKey of 2-(4-amino-N-cyclobutylanilino)ethanol?
The InChIKey is QMYJLUDZLWWEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-4-6-12(7-5-10)14(8-9-15)11-2-1-3-11/h4-7,11,15H,1-3,8-9,13H2.
What are the key properties of 2-(4-amino-N-cyclobutylanilino)ethanol?
2-(4-amino-N-cyclobutylanilino)ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.62, 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-cyclobutylanilino)ethanol is sourced from PubChem (CID 102859463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).