3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline

C11H12ClN3O — CID 11459043

IUPAC3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
SMILESCn1ccnc1COc1ccc(N)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-15-5-4-14-11(15)7-16-10-3-2-8(13)6-9(10)12/h2-6H,7,13H2,1H3
InChIKeyOTRTUQLRZNEGCS-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.23
Rot. Bonds3

About 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline

3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline (PubChem CID 11459043) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
PubChem CID11459043
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
SMILESCn1ccnc1COc1ccc(N)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-15-5-4-14-11(15)7-16-10-3-2-8(13)6-9(10)12/h2-6H,7,13H2,1H3
InChIKeyOTRTUQLRZNEGCS-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201519
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
3-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201154
3-(4-amino-2-chlorophenoxy)-1-methylpyrazin-2-one
CID 62939580
N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056352
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 63650710
2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
CID 60791778

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline?
The IUPAC name of 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline (CID 11459043) is 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline is Cn1ccnc1COc1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline?
The InChIKey is OTRTUQLRZNEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-5-4-14-11(15)7-16-10-3-2-8(13)6-9(10)12/h2-6H,7,13H2,1H3.
What are the key properties of 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline?
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline has a molecular weight of 237.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 11459043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).