2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol

C13H21NO — CID 117296837

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol
SMILESCN(C)Cc1ccccc1C(C)(C)CO
InChIInChI=1S/C13H21NO/c1-13(2,10-15)12-8-6-5-7-11(12)9-14(3)4/h5-8,15H,9-10H2,1-4H3
InChIKeyZPVWGXZXVDDOIS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol

2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol (PubChem CID 117296837) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol
PubChem CID117296837
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol
SMILESCN(C)Cc1ccccc1C(C)(C)CO
InChIInChI=1S/C13H21NO/c1-13(2,10-15)12-8-6-5-7-11(12)9-14(3)4/h5-8,15H,9-10H2,1-4H3
InChIKeyZPVWGXZXVDDOIS-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol (CID 117296837) is 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol is CN(C)Cc1ccccc1C(C)(C)CO.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol?
The InChIKey is ZPVWGXZXVDDOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,10-15)12-8-6-5-7-11(12)9-14(3)4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol?
2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).