5-amino-2-(3,5-dichlorophenyl)octan-4-ol

C14H21Cl2NO — CID 83924873

IUPAC5-amino-2-(3,5-dichlorophenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-3-4-13(17)14(18)5-9(2)10-6-11(15)8-12(16)7-10/h6-9,13-14,18H,3-5,17H2,1-2H3
InChIKeyHHYHBURFEYISMG-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.98
Rot. Bonds6

About 5-amino-2-(3,5-dichlorophenyl)octan-4-ol

5-amino-2-(3,5-dichlorophenyl)octan-4-ol (PubChem CID 83924873) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-amino-2-(3,5-dichlorophenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(3,5-dichlorophenyl)octan-4-ol
PubChem CID83924873
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name5-amino-2-(3,5-dichlorophenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-3-4-13(17)14(18)5-9(2)10-6-11(15)8-12(16)7-10/h6-9,13-14,18H,3-5,17H2,1-2H3
InChIKeyHHYHBURFEYISMG-UHFFFAOYSA-N
XLogP3.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-2-(3,5-dichlorophenyl)octan-4-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

5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505
5-amino-2-(4,5-diethoxy-2-fluorophenyl)octan-4-ol
CID 83923165
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dichlorophenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(3,5-dichlorophenyl)octan-4-ol (CID 83924873) is 5-amino-2-(3,5-dichlorophenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(3,5-dichlorophenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(3,5-dichlorophenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-amino-2-(3,5-dichlorophenyl)octan-4-ol?
The InChIKey is HHYHBURFEYISMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-4-13(17)14(18)5-9(2)10-6-11(15)8-12(16)7-10/h6-9,13-14,18H,3-5,17H2,1-2H3.
What are the key properties of 5-amino-2-(3,5-dichlorophenyl)octan-4-ol?
5-amino-2-(3,5-dichlorophenyl)octan-4-ol has a molecular weight of 290.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dichlorophenyl)octan-4-ol is sourced from PubChem (CID 83924873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).