[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol

C19H26N2O2 — CID 110011659

IUPAC[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol
SMILESCC(NCc1ccc(OC(C)(C)C)nc1)c1cccc(CO)c1
InChIInChI=1S/C19H26N2O2/c1-14(17-7-5-6-15(10-17)13-22)20-11-16-8-9-18(21-12-16)23-19(2,3)4/h5-10,12,14,20,22H,11,13H2,1-4H3
InChIKeyMEUMLAADSVCPCZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.60
Rot. Bonds6

About [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol

[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol (PubChem CID 110011659) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol
PubChem CID110011659
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol
SMILESCC(NCc1ccc(OC(C)(C)C)nc1)c1cccc(CO)c1
InChIInChI=1S/C19H26N2O2/c1-14(17-7-5-6-15(10-17)13-22)20-11-16-8-9-18(21-12-16)23-19(2,3)4/h5-10,12,14,20,22H,11,13H2,1-4H3
InChIKeyMEUMLAADSVCPCZ-UHFFFAOYSA-N
XLogP3.60
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol?
The IUPAC name of [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol (CID 110011659) is [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol.
What is the SMILES notation for [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol?
The canonical SMILES for [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol is CC(NCc1ccc(OC(C)(C)C)nc1)c1cccc(CO)c1.
What is the InChIKey of [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol?
The InChIKey is MEUMLAADSVCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(17-7-5-6-15(10-17)13-22)20-11-16-8-9-18(21-12-16)23-19(2,3)4/h5-10,12,14,20,22H,11,13H2,1-4H3.
What are the key properties of [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol?
[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol has a molecular weight of 314.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol is sourced from PubChem (CID 110011659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).