(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C12H16N2O — CID 81403604

IUPAC(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cccn1C)c1ccco1
InChIInChI=1S/C12H16N2O/c1-10(12-6-4-8-15-12)13-9-11-5-3-7-14(11)2/h3-8,10,13H,9H2,1-2H3/t10-/m1/s1
InChIKeyBGSSTIUVMUYGJH-SNVBAGLBSA-N
MW204.27 g/mol
LogP2.47
Rot. Bonds4

About (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 81403604) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID81403604
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cccn1C)c1ccco1
InChIInChI=1S/C12H16N2O/c1-10(12-6-4-8-15-12)13-9-11-5-3-7-14(11)2/h3-8,10,13H,9H2,1-2H3/t10-/m1/s1
InChIKeyBGSSTIUVMUYGJH-SNVBAGLBSA-N
XLogP2.47
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403202
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398470
1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408062
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398344
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81372404
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43535659
(1S)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 129367476

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 81403604) is (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is C[C@@H](NCc1cccn1C)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is BGSSTIUVMUYGJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(12-6-4-8-15-12)13-9-11-5-3-7-14(11)2/h3-8,10,13H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81403604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).