3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol

C15H24N2O — CID 112633731

IUPAC3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
SMILESCN(C)Cc1ccccc1NC1CC(O)C1(C)C
InChIInChI=1S/C15H24N2O/c1-15(2)13(9-14(15)18)16-12-8-6-5-7-11(12)10-17(3)4/h5-8,13-14,16,18H,9-10H2,1-4H3
InChIKeyVBUJXONMQSCJRP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol

3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633731) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633731
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
SMILESCN(C)Cc1ccccc1NC1CC(O)C1(C)C
InChIInChI=1S/C15H24N2O/c1-15(2)13(9-14(15)18)16-12-8-6-5-7-11(12)10-17(3)4/h5-8,13-14,16,18H,9-10H2,1-4H3
InChIKeyVBUJXONMQSCJRP-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol (CID 112633731) is 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol is CN(C)Cc1ccccc1NC1CC(O)C1(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is VBUJXONMQSCJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)13(9-14(15)18)16-12-8-6-5-7-11(12)10-17(3)4/h5-8,13-14,16,18H,9-10H2,1-4H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol?
3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).