(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

C11H15N3O — CID 81403640

IUPAC(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@@H](C)c2ccco2)[nH]1
InChIInChI=1S/C11H15N3O/c1-8(11-4-3-5-15-11)12-6-10-7-13-9(2)14-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyRZXRHSQSOYXUEW-QMMMGPOBSA-N
MW205.26 g/mol
LogP2.16
Rot. Bonds4

About (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 81403640) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID81403640
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@@H](C)c2ccco2)[nH]1
InChIInChI=1S/C11H15N3O/c1-8(11-4-3-5-15-11)12-6-10-7-13-9(2)14-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyRZXRHSQSOYXUEW-QMMMGPOBSA-N
XLogP2.16
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43645072
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62741442
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109298
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanenitrile
CID 156893042
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (CID 81403640) is (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is Cc1ncc(CN[C@@H](C)c2ccco2)[nH]1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is RZXRHSQSOYXUEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(11-4-3-5-15-11)12-6-10-7-13-9(2)14-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 205.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81403640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).