N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine

C11H16N2O — CID 171469707

IUPACN-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNC[C@H]1c2ncccc2O[C@@H]1C
InChIInChI=1S/C11H16N2O/c1-3-12-7-9-8(2)14-10-5-4-6-13-11(9)10/h4-6,8-9,12H,3,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRRBOGQKJBRQGMK-RKDXNWHRSA-N
MW192.26 g/mol
LogP1.56
Rot. Bonds3

About N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine

N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 171469707) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
PubChem CID171469707
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNC[C@H]1c2ncccc2O[C@@H]1C
InChIInChI=1S/C11H16N2O/c1-3-12-7-9-8(2)14-10-5-4-6-13-11(9)10/h4-6,8-9,12H,3,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRRBOGQKJBRQGMK-RKDXNWHRSA-N
XLogP1.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine (CID 171469707) is N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine is CCNC[C@H]1c2ncccc2O[C@@H]1C.
What is the InChIKey of N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is RRBOGQKJBRQGMK-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-12-7-9-8(2)14-10-5-4-6-13-11(9)10/h4-6,8-9,12H,3,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine?
N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 171469707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).