2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol

C14H23NO — CID 117113714

IUPAC2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)CO)cc(N(C)C)c1C
InChIInChI=1S/C14H23NO/c1-10-7-12(14(3,4)9-16)8-13(11(10)2)15(5)6/h7-8,16H,9H2,1-6H3
InChIKeyBWWJWLZFFAUCHF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds3

About 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol

2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol (PubChem CID 117113714) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
PubChem CID117113714
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)CO)cc(N(C)C)c1C
InChIInChI=1S/C14H23NO/c1-10-7-12(14(3,4)9-16)8-13(11(10)2)15(5)6/h7-8,16H,9H2,1-6H3
InChIKeyBWWJWLZFFAUCHF-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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Related Compounds

2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
CID 117113719
2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
CID 117432962
2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol
CID 117113721
3-[4-(1-hydroxy-2-methylpropan-2-yl)-2-methylphenyl]propanal
CID 139329715
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
2-(2,3-dimethyl-5-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117394666
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117305565
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
2-(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117472304
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol (CID 117113714) is 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol is Cc1cc(C(C)(C)CO)cc(N(C)C)c1C.
What is the InChIKey of 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
The InChIKey is BWWJWLZFFAUCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-12(14(3,4)9-16)8-13(11(10)2)15(5)6/h7-8,16H,9H2,1-6H3.
What are the key properties of 2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol?
2-[3-(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-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117113714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).