4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol

C19H29FN2O2 — CID 19823711

IUPAC4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol
SMILESCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)CN1CCOCC1
InChIInChI=1S/C19H29FN2O2/c1-18(23,14-22-9-11-24-12-10-22)13-17(21)19(7-2-8-19)15-3-5-16(20)6-4-15/h3-6,17,23H,2,7-14,21H2,1H3
InChIKeySTRKLWJJPMJDED-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.05
Rot. Bonds6

About 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol

4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol (PubChem CID 19823711) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol
PubChem CID19823711
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol
SMILESCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)CN1CCOCC1
InChIInChI=1S/C19H29FN2O2/c1-18(23,14-22-9-11-24-12-10-22)13-17(21)19(7-2-8-19)15-3-5-16(20)6-4-15/h3-6,17,23H,2,7-14,21H2,1H3
InChIKeySTRKLWJJPMJDED-UHFFFAOYSA-N
XLogP2.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol?
The IUPAC name of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol (CID 19823711) is 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol is CC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)CN1CCOCC1.
What is the InChIKey of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol?
The InChIKey is STRKLWJJPMJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-18(23,14-22-9-11-24-12-10-22)13-17(21)19(7-2-8-19)15-3-5-16(20)6-4-15/h3-6,17,23H,2,7-14,21H2,1H3.
What are the key properties of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol?
4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol has a molecular weight of 336.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 19823711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).