2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol

C19H30N2O2 — CID 70766914

IUPAC2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CC(N3CCOCC3)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,22)8-7-16-3-5-17(6-4-16)13-20-14-18(15-20)21-9-11-23-12-10-21/h3-6,18,22H,7-15H2,1-2H3
InChIKeyQUGQWOJTEBFEEO-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.91
Rot. Bonds6

About 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol

2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol (PubChem CID 70766914) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
PubChem CID70766914
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CC(N3CCOCC3)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,22)8-7-16-3-5-17(6-4-16)13-20-14-18(15-20)21-9-11-23-12-10-21/h3-6,18,22H,7-15H2,1-2H3
InChIKeyQUGQWOJTEBFEEO-UHFFFAOYSA-N
XLogP1.91
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol (CID 70766914) is 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol is CC(C)(O)CCc1ccc(CN2CC(N3CCOCC3)C2)cc1.
What is the InChIKey of 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol?
The InChIKey is QUGQWOJTEBFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,22)8-7-16-3-5-17(6-4-16)13-20-14-18(15-20)21-9-11-23-12-10-21/h3-6,18,22H,7-15H2,1-2H3.
What are the key properties of 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol?
2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol has a molecular weight of 318.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol is sourced from PubChem (CID 70766914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).