[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine

C12H14ClN3O — CID 60880022

IUPAC[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
SMILESCn1ccnc1COc1ccc(Cl)cc1CN
InChIInChI=1S/C12H14ClN3O/c1-16-5-4-15-12(16)8-17-11-3-2-10(13)6-9(11)7-14/h2-6H,7-8,14H2,1H3
InChIKeyGHXGUUGSAGOXNR-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.11
Rot. Bonds4

About [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine

[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 60880022) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
PubChem CID60880022
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
SMILESCn1ccnc1COc1ccc(Cl)cc1CN
InChIInChI=1S/C12H14ClN3O/c1-16-5-4-15-12(16)8-17-11-3-2-10(13)6-9(11)7-14/h2-6H,7-8,14H2,1H3
InChIKeyGHXGUUGSAGOXNR-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine 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

N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63056031
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 55181751
[5-chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methoxy]phenyl]methanamine
CID 170555987
[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800984
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201519

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine (CID 60880022) is [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine is Cn1ccnc1COc1ccc(Cl)cc1CN.
What is the InChIKey of [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is GHXGUUGSAGOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-5-4-15-12(16)8-17-11-3-2-10(13)6-9(11)7-14/h2-6H,7-8,14H2,1H3.
What are the key properties of [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60880022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).