2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol

C23H22N2O2 — CID 129137955

IUPAC2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1cc2ccc(CNCCO)nc2o1
InChIInChI=1S/C23H22N2O2/c1-16-20(17-6-3-2-4-7-17)8-5-9-21(16)22-14-18-10-11-19(15-24-12-13-26)25-23(18)27-22/h2-11,14,24,26H,12-13,15H2,1H3
InChIKeyMTJPMMVLXHXMAH-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.55
Rot. Bonds6

About 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol

2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol (PubChem CID 129137955) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol
PubChem CID129137955
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1cc2ccc(CNCCO)nc2o1
InChIInChI=1S/C23H22N2O2/c1-16-20(17-6-3-2-4-7-17)8-5-9-21(16)22-14-18-10-11-19(15-24-12-13-26)25-23(18)27-22/h2-11,14,24,26H,12-13,15H2,1H3
InChIKeyMTJPMMVLXHXMAH-UHFFFAOYSA-N
XLogP4.55
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol (CID 129137955) is 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-c1cc2ccc(CNCCO)nc2o1.
What is the InChIKey of 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol?
The InChIKey is MTJPMMVLXHXMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-20(17-6-3-2-4-7-17)8-5-9-21(16)22-14-18-10-11-19(15-24-12-13-26)25-23(18)27-22/h2-11,14,24,26H,12-13,15H2,1H3.
What are the key properties of 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol?
2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol has a molecular weight of 358.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridin-6-yl]methylamino]ethanol is sourced from PubChem (CID 129137955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).