[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol

C12H19NO2 — CID 61451739

IUPAC[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
SMILESCOCC(C)N(C)c1ccc(CO)cc1
InChIInChI=1S/C12H19NO2/c1-10(9-15-3)13(2)12-6-4-11(8-14)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyMCNWOTVAKAFDJV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.65
Rot. Bonds5

About [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol

[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol (PubChem CID 61451739) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
PubChem CID61451739
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
SMILESCOCC(C)N(C)c1ccc(CO)cc1
InChIInChI=1S/C12H19NO2/c1-10(9-15-3)13(2)12-6-4-11(8-14)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyMCNWOTVAKAFDJV-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
The IUPAC name of [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol (CID 61451739) is [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
The canonical SMILES for [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol is COCC(C)N(C)c1ccc(CO)cc1.
What is the InChIKey of [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
The InChIKey is MCNWOTVAKAFDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(9-15-3)13(2)12-6-4-11(8-14)5-7-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 61451739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).