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

C11H13N3O — CID 39201154

IUPAC3-[(1-methylimidazol-2-yl)methoxy]aniline
SMILESCn1ccnc1COc1cccc(N)c1
InChIInChI=1S/C11H13N3O/c1-14-6-5-13-11(14)8-15-10-4-2-3-9(12)7-10/h2-7H,8,12H2,1H3
InChIKeyDYSNBLPZWKJFTH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.58
Rot. Bonds3

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

3-[(1-methylimidazol-2-yl)methoxy]aniline (PubChem CID 39201154) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methoxy]aniline
PubChem CID39201154
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[(1-methylimidazol-2-yl)methoxy]aniline
SMILESCn1ccnc1COc1cccc(N)c1
InChIInChI=1S/C11H13N3O/c1-14-6-5-13-11(14)8-15-10-4-2-3-9(12)7-10/h2-7H,8,12H2,1H3
InChIKeyDYSNBLPZWKJFTH-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.58
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

3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
3-[3-(1-methylimidazol-2-yl)sulfanylpropoxy]aniline
CID 43366255
3-[(1-methylimidazol-2-yl)methylsulfanyl]aniline
CID 79133511
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201519
1-(3-aminophenyl)-3-(1-methylimidazol-2-yl)propan-2-one
CID 116577218
3-[[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558685
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methoxy]aniline
CID 79818145
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 114533349

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methoxy]aniline?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methoxy]aniline (CID 39201154) is 3-[(1-methylimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methoxy]aniline is Cn1ccnc1COc1cccc(N)c1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methoxy]aniline?
The InChIKey is DYSNBLPZWKJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-6-5-13-11(14)8-15-10-4-2-3-9(12)7-10/h2-7H,8,12H2,1H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methoxy]aniline?
3-[(1-methylimidazol-2-yl)methoxy]aniline has a molecular weight of 203.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 39201154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).