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

C16H23Cl2NO2 — CID 107308193

IUPAC1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1
InChIInChI=1S/C16H23Cl2NO2/c1-3-16(2,19-7-9-21-10-8-19)14(20)11-12-5-4-6-13(17)15(12)18/h4-6,14,20H,3,7-11H2,1-2H3
InChIKeyANYOTXKNNYJVLP-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.40
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol (PubChem CID 107308193) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
PubChem CID107308193
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1
InChIInChI=1S/C16H23Cl2NO2/c1-3-16(2,19-7-9-21-10-8-19)14(20)11-12-5-4-6-13(17)15(12)18/h4-6,14,20H,3,7-11H2,1-2H3
InChIKeyANYOTXKNNYJVLP-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 107308188
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol
CID 79065174
1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 107308273
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 115983601
1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 107308802
1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 104800320
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79700570

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol (CID 107308193) is 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol is CCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
The InChIKey is ANYOTXKNNYJVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-3-16(2,19-7-9-21-10-8-19)14(20)11-12-5-4-6-13(17)15(12)18/h4-6,14,20H,3,7-11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol has a molecular weight of 332.27 g/mol, XLogP of 3.40, 5 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-ylpentan-2-ol is sourced from PubChem (CID 107308193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).