2-(3,5-dimethylanilino)cyclobutan-1-ol

C12H17NO — CID 126856717

IUPAC2-(3,5-dimethylanilino)cyclobutan-1-ol
SMILESCc1cc(C)cc(NC2CCC2O)c1
InChIInChI=1S/C12H17NO/c1-8-5-9(2)7-10(6-8)13-11-3-4-12(11)14/h5-7,11-14H,3-4H2,1-2H3
InChIKeyQBSKZMSGKOVLCQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.24
Rot. Bonds2

About 2-(3,5-dimethylanilino)cyclobutan-1-ol

2-(3,5-dimethylanilino)cyclobutan-1-ol (PubChem CID 126856717) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)cyclobutan-1-ol
PubChem CID126856717
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(3,5-dimethylanilino)cyclobutan-1-ol
SMILESCc1cc(C)cc(NC2CCC2O)c1
InChIInChI=1S/C12H17NO/c1-8-5-9(2)7-10(6-8)13-11-3-4-12(11)14/h5-7,11-14H,3-4H2,1-2H3
InChIKeyQBSKZMSGKOVLCQ-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)cyclobutan-1-ol?
The IUPAC name of 2-(3,5-dimethylanilino)cyclobutan-1-ol (CID 126856717) is 2-(3,5-dimethylanilino)cyclobutan-1-ol.
What is the SMILES notation for 2-(3,5-dimethylanilino)cyclobutan-1-ol?
The canonical SMILES for 2-(3,5-dimethylanilino)cyclobutan-1-ol is Cc1cc(C)cc(NC2CCC2O)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)cyclobutan-1-ol?
The InChIKey is QBSKZMSGKOVLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-9(2)7-10(6-8)13-11-3-4-12(11)14/h5-7,11-14H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dimethylanilino)cyclobutan-1-ol?
2-(3,5-dimethylanilino)cyclobutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)cyclobutan-1-ol is sourced from PubChem (CID 126856717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).