[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine

C10H14N2O — CID 165402690

IUPAC[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
SMILESCc1ccc2c(n1)[C@H](CN)[C@@H](C)O2
InChIInChI=1S/C10H14N2O/c1-6-3-4-9-10(12-6)8(5-11)7(2)13-9/h3-4,7-8H,5,11H2,1-2H3/t7-,8-/m1/s1
InChIKeyROEGKBBZIAVADW-HTQZYQBOSA-N
MW178.23 g/mol
LogP1.21
Rot. Bonds1

About [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine

[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine (PubChem CID 165402690) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
PubChem CID165402690
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
SMILESCc1ccc2c(n1)[C@H](CN)[C@@H](C)O2
InChIInChI=1S/C10H14N2O/c1-6-3-4-9-10(12-6)8(5-11)7(2)13-9/h3-4,7-8H,5,11H2,1-2H3/t7-,8-/m1/s1
InChIKeyROEGKBBZIAVADW-HTQZYQBOSA-N
XLogP1.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
The IUPAC name of [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine (CID 165402690) is [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
The canonical SMILES for [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine is Cc1ccc2c(n1)[C@H](CN)[C@@H](C)O2.
What is the InChIKey of [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
The InChIKey is ROEGKBBZIAVADW-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-3-4-9-10(12-6)8(5-11)7(2)13-9/h3-4,7-8H,5,11H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine has a molecular weight of 178.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 165402690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).