[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol

C12H19NO — CID 115229232

IUPAC[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
SMILESCc1ccc(CN(C)CO)c(C)c1C
InChIInChI=1S/C12H19NO/c1-9-5-6-12(7-13(4)8-14)11(3)10(9)2/h5-6,14H,7-8H2,1-4H3
InChIKeySKZZIRFSIUYEFM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.99
Rot. Bonds3

About [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol

[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol (PubChem CID 115229232) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
PubChem CID115229232
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
SMILESCc1ccc(CN(C)CO)c(C)c1C
InChIInChI=1S/C12H19NO/c1-9-5-6-12(7-13(4)8-14)11(3)10(9)2/h5-6,14H,7-8H2,1-4H3
InChIKeySKZZIRFSIUYEFM-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
3-hydroxy-4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]butanoic acid
CID 115123086
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
2-[[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221617
4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
CID 115217930
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
CID 115229229
4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163716
3-methyl-3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]butanoic acid
CID 117042453
1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
CID 117041457

Frequently Asked Questions

What is the IUPAC name of [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol?
The IUPAC name of [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol (CID 115229232) is [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol.
What is the SMILES notation for [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol?
The canonical SMILES for [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol is Cc1ccc(CN(C)CO)c(C)c1C.
What is the InChIKey of [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol?
The InChIKey is SKZZIRFSIUYEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-6-12(7-13(4)8-14)11(3)10(9)2/h5-6,14H,7-8H2,1-4H3.
What are the key properties of [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol?
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol has a molecular weight of 193.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol is sourced from PubChem (CID 115229232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).