2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol

C13H21NO — CID 28724856

IUPAC2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(CNC(C)(C)CO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-12(11(2)7-10)8-14-13(3,4)9-15/h5-7,14-15H,8-9H2,1-4H3
InChIKeyJLDOHVWSAQARCJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds4

About 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol

2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 28724856) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol
PubChem CID28724856
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(CNC(C)(C)CO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-12(11(2)7-10)8-14-13(3,4)9-15/h5-7,14-15H,8-9H2,1-4H3
InChIKeyJLDOHVWSAQARCJ-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol (CID 28724856) is 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol is Cc1ccc(CNC(C)(C)CO)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is JLDOHVWSAQARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-6-12(11(2)7-10)8-14-13(3,4)9-15/h5-7,14-15H,8-9H2,1-4H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 28724856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).