4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol

C14H19N3O — CID 82979591

IUPAC4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)Cc2nccn2C)c1
InChIInChI=1S/C14H19N3O/c1-11-4-5-13(18)12(8-11)9-16(2)10-14-15-6-7-17(14)3/h4-8,18H,9-10H2,1-3H3
InChIKeyXVMCKEOBJZPCMN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.07
Rot. Bonds4

About 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol

4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol (PubChem CID 82979591) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
PubChem CID82979591
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)Cc2nccn2C)c1
InChIInChI=1S/C14H19N3O/c1-11-4-5-13(18)12(8-11)9-16(2)10-14-15-6-7-17(14)3/h4-8,18H,9-10H2,1-3H3
InChIKeyXVMCKEOBJZPCMN-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
3-methyl-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 114481924
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
3-chloro-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 102666237
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarbothioamide
CID 63026797
N-[[3-bromo-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 102770892
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol (CID 82979591) is 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol is Cc1ccc(O)c(CN(C)Cc2nccn2C)c1.
What is the InChIKey of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
The InChIKey is XVMCKEOBJZPCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-5-13(18)12(8-11)9-16(2)10-14-15-6-7-17(14)3/h4-8,18H,9-10H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 82979591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).