amino-(2-methoxy-4-propan-2-ylphenyl)methanol

C11H17NO2 — CID 116939637

IUPACamino-(2-methoxy-4-propan-2-ylphenyl)methanol
SMILESCOc1cc(C(C)C)ccc1C(N)O
InChIInChI=1S/C11H17NO2/c1-7(2)8-4-5-9(11(12)13)10(6-8)14-3/h4-7,11,13H,12H2,1-3H3
InChIKeyJXARRMWYHHQOKI-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.77
Rot. Bonds3

About amino-(2-methoxy-4-propan-2-ylphenyl)methanol

amino-(2-methoxy-4-propan-2-ylphenyl)methanol (PubChem CID 116939637) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is amino-(2-methoxy-4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Nameamino-(2-methoxy-4-propan-2-ylphenyl)methanol
PubChem CID116939637
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameamino-(2-methoxy-4-propan-2-ylphenyl)methanol
SMILESCOc1cc(C(C)C)ccc1C(N)O
InChIInChI=1S/C11H17NO2/c1-7(2)8-4-5-9(11(12)13)10(6-8)14-3/h4-7,11,13H,12H2,1-3H3
InChIKeyJXARRMWYHHQOKI-UHFFFAOYSA-N
XLogP1.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517

Frequently Asked Questions

What is the IUPAC name of amino-(2-methoxy-4-propan-2-ylphenyl)methanol?
The IUPAC name of amino-(2-methoxy-4-propan-2-ylphenyl)methanol (CID 116939637) is amino-(2-methoxy-4-propan-2-ylphenyl)methanol.
What is the SMILES notation for amino-(2-methoxy-4-propan-2-ylphenyl)methanol?
The canonical SMILES for amino-(2-methoxy-4-propan-2-ylphenyl)methanol is COc1cc(C(C)C)ccc1C(N)O.
What is the InChIKey of amino-(2-methoxy-4-propan-2-ylphenyl)methanol?
The InChIKey is JXARRMWYHHQOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)8-4-5-9(11(12)13)10(6-8)14-3/h4-7,11,13H,12H2,1-3H3.
What are the key properties of amino-(2-methoxy-4-propan-2-ylphenyl)methanol?
amino-(2-methoxy-4-propan-2-ylphenyl)methanol has a molecular weight of 195.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-methoxy-4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 116939637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).