N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine

C15H19N3O — CID 106582644

IUPACN-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine
SMILESCC(Nc1nccn1-c1ccccc1)C1CCOC1
InChIInChI=1S/C15H19N3O/c1-12(13-7-10-19-11-13)17-15-16-8-9-18(15)14-5-3-2-4-6-14/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,16,17)
InChIKeyMUUGOMYWQMRBHH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine

N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine (PubChem CID 106582644) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine
PubChem CID106582644
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine
SMILESCC(Nc1nccn1-c1ccccc1)C1CCOC1
InChIInChI=1S/C15H19N3O/c1-12(13-7-10-19-11-13)17-15-16-8-9-18(15)14-5-3-2-4-6-14/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,16,17)
InChIKeyMUUGOMYWQMRBHH-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
CID 106580867
N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine
CID 106575715
2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
CID 99718666
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
CID 106579895
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582613

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine (CID 106582644) is N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine is CC(Nc1nccn1-c1ccccc1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine?
The InChIKey is MUUGOMYWQMRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(13-7-10-19-11-13)17-15-16-8-9-18(15)14-5-3-2-4-6-14/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,16,17).
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine?
N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine is sourced from PubChem (CID 106582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).