1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol

C15H21Cl2NO2 — CID 107308188

IUPAC1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2,18-6-8-20-9-7-18)13(19)10-11-4-3-5-12(16)14(11)17/h3-5,13,19H,6-10H2,1-2H3
InChIKeyCTUPEDDFYOSOBR-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol

1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol (PubChem CID 107308188) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
PubChem CID107308188
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2,18-6-8-20-9-7-18)13(19)10-11-4-3-5-12(16)14(11)17/h3-5,13,19H,6-10H2,1-2H3
InChIKeyCTUPEDDFYOSOBR-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 79045595
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 107308273
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol (CID 107308188) is 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol is CC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The InChIKey is CTUPEDDFYOSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-15(2,18-6-8-20-9-7-18)13(19)10-11-4-3-5-12(16)14(11)17/h3-5,13,19H,6-10H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol has a molecular weight of 318.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 107308188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).