dimethylamino-(2,5-dimethylphenyl)methanol

C11H17NO — CID 116909513

IUPACdimethylamino-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)N(C)C)c1
InChIInChI=1S/C11H17NO/c1-8-5-6-9(2)10(7-8)11(13)12(3)4/h5-7,11,13H,1-4H3
InChIKeyHCYBRXWVYNMTKT-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.86
Rot. Bonds2

About dimethylamino-(2,5-dimethylphenyl)methanol

dimethylamino-(2,5-dimethylphenyl)methanol (PubChem CID 116909513) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is dimethylamino-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Namedimethylamino-(2,5-dimethylphenyl)methanol
PubChem CID116909513
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namedimethylamino-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)N(C)C)c1
InChIInChI=1S/C11H17NO/c1-8-5-6-9(2)10(7-8)11(13)12(3)4/h5-7,11,13H,1-4H3
InChIKeyHCYBRXWVYNMTKT-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
CID 116907390
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310547
3-(dimethylamino)-3-(2,5-dimethylphenyl)propanenitrile
CID 116909868
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
2-[dimethylamino-(2,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116913158
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819432
(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol
CID 114987801
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
sodium (2,5-dimethylphenyl)-hydroxymethanesulfonate
CID 103574544
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767

Frequently Asked Questions

What is the IUPAC name of dimethylamino-(2,5-dimethylphenyl)methanol?
The IUPAC name of dimethylamino-(2,5-dimethylphenyl)methanol (CID 116909513) is dimethylamino-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for dimethylamino-(2,5-dimethylphenyl)methanol?
The canonical SMILES for dimethylamino-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)N(C)C)c1.
What is the InChIKey of dimethylamino-(2,5-dimethylphenyl)methanol?
The InChIKey is HCYBRXWVYNMTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-9(2)10(7-8)11(13)12(3)4/h5-7,11,13H,1-4H3.
What are the key properties of dimethylamino-(2,5-dimethylphenyl)methanol?
dimethylamino-(2,5-dimethylphenyl)methanol has a molecular weight of 179.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 116909513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).