4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline

C13H15N3O — CID 66152915

IUPAC4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
SMILESNc1ccc(OCc2cncn2C2CC2)cc1
InChIInChI=1S/C13H15N3O/c14-10-1-5-13(6-2-10)17-8-12-7-15-9-16(12)11-3-4-11/h1-2,5-7,9,11H,3-4,8,14H2
InChIKeyMDUMBGXKYLFGKS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.38
Rot. Bonds4

About 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline

4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline (PubChem CID 66152915) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
PubChem CID66152915
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
SMILESNc1ccc(OCc2cncn2C2CC2)cc1
InChIInChI=1S/C13H15N3O/c14-10-1-5-13(6-2-10)17-8-12-7-15-9-16(12)11-3-4-11/h1-2,5-7,9,11H,3-4,8,14H2
InChIKeyMDUMBGXKYLFGKS-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66154634
5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
CID 66152904
5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
CID 80641562
4-[(3-cyclopropylimidazol-4-yl)methylsulfanyl]aniline
CID 66153681
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782688
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154264
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666
1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
CID 102990484
3-bromo-4-[(3-cyclopropylimidazol-4-yl)methoxy]benzaldehyde
CID 66153478

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline?
The IUPAC name of 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline (CID 66152915) is 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline.
What is the SMILES notation for 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline?
The canonical SMILES for 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline is Nc1ccc(OCc2cncn2C2CC2)cc1.
What is the InChIKey of 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline?
The InChIKey is MDUMBGXKYLFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-1-5-13(6-2-10)17-8-12-7-15-9-16(12)11-3-4-11/h1-2,5-7,9,11H,3-4,8,14H2.
What are the key properties of 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline?
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline has a molecular weight of 229.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline is sourced from PubChem (CID 66152915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).