[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol

C12H19NO — CID 62121374

IUPAC[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol
SMILESCc1cc(CO)ccc1N(C)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)13(4)12-6-5-11(8-14)7-10(12)3/h5-7,9,14H,8H2,1-4H3
InChIKeyXEQGNWDJJHKAKY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds3

About [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol

[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol (PubChem CID 62121374) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol
PubChem CID62121374
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol
SMILESCc1cc(CO)ccc1N(C)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)13(4)12-6-5-11(8-14)7-10(12)3/h5-7,9,14H,8H2,1-4H3
InChIKeyXEQGNWDJJHKAKY-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol?
The IUPAC name of [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol (CID 62121374) is [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol is Cc1cc(CO)ccc1N(C)C(C)C.
What is the InChIKey of [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol?
The InChIKey is XEQGNWDJJHKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)13(4)12-6-5-11(8-14)7-10(12)3/h5-7,9,14H,8H2,1-4H3.
What are the key properties of [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol?
[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 62121374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).