2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol

C12H17ClN2O — CID 102859508

IUPAC2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
SMILESNc1cccc(Cl)c1N(CCO)C1CCC1
InChIInChI=1S/C12H17ClN2O/c13-10-5-2-6-11(14)12(10)15(7-8-16)9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8,14H2
InChIKeySBSQZWHIVOGIIU-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol

2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol (PubChem CID 102859508) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
PubChem CID102859508
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
SMILESNc1cccc(Cl)c1N(CCO)C1CCC1
InChIInChI=1S/C12H17ClN2O/c13-10-5-2-6-11(14)12(10)15(7-8-16)9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8,14H2
InChIKeySBSQZWHIVOGIIU-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide
CID 54989261
2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
CID 61440812
2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 61243728
3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
CID 114067557
2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
CID 102859788
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
CID 102858927
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol
CID 102859479

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol?
The IUPAC name of 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol (CID 102859508) is 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol.
What is the SMILES notation for 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol?
The canonical SMILES for 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol is Nc1cccc(Cl)c1N(CCO)C1CCC1.
What is the InChIKey of 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol?
The InChIKey is SBSQZWHIVOGIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-10-5-2-6-11(14)12(10)15(7-8-16)9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8,14H2.
What are the key properties of 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol?
2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol has a molecular weight of 240.73 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol is sourced from PubChem (CID 102859508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).