2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol

C13H16ClN3O — CID 112616300

IUPAC2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(Cl)c1O)Cc1nccn1C
InChIInChI=1S/C13H16ClN3O/c1-16(9-12-15-6-7-17(12)2)8-10-4-3-5-11(14)13(10)18/h3-7,18H,8-9H2,1-2H3
InChIKeyOYFKLQRNIBTZAP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol

2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol (PubChem CID 112616300) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
PubChem CID112616300
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(Cl)c1O)Cc1nccn1C
InChIInChI=1S/C13H16ClN3O/c1-16(9-12-15-6-7-17(12)2)8-10-4-3-5-11(14)13(10)18/h3-7,18H,8-9H2,1-2H3
InChIKeyOYFKLQRNIBTZAP-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.41
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-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
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-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol
CID 63024735
3-chloro-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 102666237
2-fluoro-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115558
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
2-(chloromethyl)-6-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 114067825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol (CID 112616300) is 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol is CN(Cc1cccc(Cl)c1O)Cc1nccn1C.
What is the InChIKey of 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
The InChIKey is OYFKLQRNIBTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-16(9-12-15-6-7-17(12)2)8-10-4-3-5-11(14)13(10)18/h3-7,18H,8-9H2,1-2H3.
What are the key properties of 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol?
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol has a molecular weight of 265.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 112616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).