2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol

C19H24N2O2 — CID 90338561

IUPAC2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol
SMILESCC(C)Oc1cc(Nc2ccc(CCO)cc2)c2c(n1)CCC2
InChIInChI=1S/C19H24N2O2/c1-13(2)23-19-12-18(16-4-3-5-17(16)21-19)20-15-8-6-14(7-9-15)10-11-22/h6-9,12-13,22H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyRDHOGVBWKCHVAF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol

2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol (PubChem CID 90338561) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol
PubChem CID90338561
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol
SMILESCC(C)Oc1cc(Nc2ccc(CCO)cc2)c2c(n1)CCC2
InChIInChI=1S/C19H24N2O2/c1-13(2)23-19-12-18(16-4-3-5-17(16)21-19)20-15-8-6-14(7-9-15)10-11-22/h6-9,12-13,22H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyRDHOGVBWKCHVAF-UHFFFAOYSA-N
XLogP3.64
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol (CID 90338561) is 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol is CC(C)Oc1cc(Nc2ccc(CCO)cc2)c2c(n1)CCC2.
What is the InChIKey of 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
The InChIKey is RDHOGVBWKCHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)23-19-12-18(16-4-3-5-17(16)21-19)20-15-8-6-14(7-9-15)10-11-22/h6-9,12-13,22H,3-5,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol has a molecular weight of 312.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 90338561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).