2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol

C14H23NO — CID 117113719

IUPAC2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
SMILESCc1cc(N(C)C)c(C(C)(C)CO)cc1C
InChIInChI=1S/C14H23NO/c1-10-7-12(14(3,4)9-16)13(15(5)6)8-11(10)2/h7-8,16H,9H2,1-6H3
InChIKeyFPACEYLJJOQDAU-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol

2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol (PubChem CID 117113719) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
PubChem CID117113719
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
SMILESCc1cc(N(C)C)c(C(C)(C)CO)cc1C
InChIInChI=1S/C14H23NO/c1-10-7-12(14(3,4)9-16)13(15(5)6)8-11(10)2/h7-8,16H,9H2,1-6H3
InChIKeyFPACEYLJJOQDAU-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol (CID 117113719) is 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol is Cc1cc(N(C)C)c(C(C)(C)CO)cc1C.
What is the InChIKey of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
The InChIKey is FPACEYLJJOQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-12(14(3,4)9-16)13(15(5)6)8-11(10)2/h7-8,16H,9H2,1-6H3.
What are the key properties of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117113719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).