[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine

C13H17N3O — CID 117052114

IUPAC[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
SMILESCC(Oc1ccccc1CN)c1nccn1C
InChIInChI=1S/C13H17N3O/c1-10(13-15-7-8-16(13)2)17-12-6-4-3-5-11(12)9-14/h3-8,10H,9,14H2,1-2H3
InChIKeyUDXVLHYADPXSFG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds4

About [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine

[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine (PubChem CID 117052114) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
PubChem CID117052114
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
SMILESCC(Oc1ccccc1CN)c1nccn1C
InChIInChI=1S/C13H17N3O/c1-10(13-15-7-8-16(13)2)17-12-6-4-3-5-11(12)9-14/h3-8,10H,9,14H2,1-2H3
InChIKeyUDXVLHYADPXSFG-UHFFFAOYSA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-methylimidazol-2-yl)ethoxy]benzonitrile
CID 117052836
[2-(1-pyridin-4-ylethoxy)phenyl]methanamine
CID 82037250
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
3-fluoro-4-[1-(1-methylimidazol-2-yl)ethoxy]benzoic acid
CID 117096768
[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine
CID 117052101
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824
2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 113453816
3-methoxy-4-[1-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 117052364
fluoroform;2-(1-methoxyethyl)-1-methylimidazole
CID 174709320
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662

Frequently Asked Questions

What is the IUPAC name of [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine (CID 117052114) is [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine is CC(Oc1ccccc1CN)c1nccn1C.
What is the InChIKey of [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is UDXVLHYADPXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(13-15-7-8-16(13)2)17-12-6-4-3-5-11(12)9-14/h3-8,10H,9,14H2,1-2H3.
What are the key properties of [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 117052114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).