2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine

C10H13N3O — CID 107977095

IUPAC2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(C(N)Cc2ccco2)c1
InChIInChI=1S/C10H13N3O/c1-13-6-10(12-7-13)9(11)5-8-3-2-4-14-8/h2-4,6-7,9H,5,11H2,1H3
InChIKeyXVJDCSZRXBNNCA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds3

About 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine

2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107977095) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107977095
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(C(N)Cc2ccco2)c1
InChIInChI=1S/C10H13N3O/c1-13-6-10(12-7-13)9(11)5-8-3-2-4-14-8/h2-4,6-7,9H,5,11H2,1H3
InChIKeyXVJDCSZRXBNNCA-UHFFFAOYSA-N
XLogP1.26
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-pyridin-2-ylethanamine
CID 83175887
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974649
(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
CID 130598930
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977307
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
2-(2-ethylbutyl)furan
CID 68844643
2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 114022865
2-(3-fluoro-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974205
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine (CID 107977095) is 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine is Cn1cnc(C(N)Cc2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is XVJDCSZRXBNNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-6-10(12-7-13)9(11)5-8-3-2-4-14-8/h2-4,6-7,9H,5,11H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 191.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107977095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).