1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine

C13H16ClN3O — CID 112608705

IUPAC1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1nccn1C
InChIInChI=1S/C13H16ClN3O/c1-15-8-10-4-3-5-11(14)13(10)18-9-12-16-6-7-17(12)2/h3-7,15H,8-9H2,1-2H3
InChIKeyXRBFNKQYQMMOOR-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.37
Rot. Bonds5

About 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 112608705) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID112608705
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1nccn1C
InChIInChI=1S/C13H16ClN3O/c1-15-8-10-4-3-5-11(14)13(10)18-9-12-16-6-7-17(12)2/h3-7,15H,8-9H2,1-2H3
InChIKeyXRBFNKQYQMMOOR-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
1-[3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608591
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
N-[[3-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609327
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952206
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608679
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 112608705) is 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCc1nccn1C.
What is the InChIKey of 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is XRBFNKQYQMMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-15-8-10-4-3-5-11(14)13(10)18-9-12-16-6-7-17(12)2/h3-7,15H,8-9H2,1-2H3.
What are the key properties of 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).