(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol

C12H19NO2 — CID 116954637

IUPAC(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C12H19NO2/c1-8(2)9-5-6-11(15-4)10(7-9)12(14)13-3/h5-8,12-14H,1-4H3
InChIKeyAVQWEUUZLGIUFZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.03
Rot. Bonds4

About (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol

(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol (PubChem CID 116954637) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
PubChem CID116954637
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C12H19NO2/c1-8(2)9-5-6-11(15-4)10(7-9)12(14)13-3/h5-8,12-14H,1-4H3
InChIKeyAVQWEUUZLGIUFZ-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.03
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

(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 112518271
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
2-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116847004
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol?
The IUPAC name of (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol (CID 116954637) is (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol.
What is the SMILES notation for (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol?
The canonical SMILES for (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol is CNC(O)c1cc(C(C)C)ccc1OC.
What is the InChIKey of (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol?
The InChIKey is AVQWEUUZLGIUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)9-5-6-11(15-4)10(7-9)12(14)13-3/h5-8,12-14H,1-4H3.
What are the key properties of (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol?
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol has a molecular weight of 209.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol is sourced from PubChem (CID 116954637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).