4-amino-1-(2,4-dichlorophenyl)heptan-3-ol

C13H19Cl2NO — CID 83928392

IUPAC4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-3-12(16)13(17)7-5-9-4-6-10(14)8-11(9)15/h4,6,8,12-13,17H,2-3,5,7,16H2,1H3
InChIKeyROPWSBIUOQQODF-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.41
Rot. Bonds6

About 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol

4-amino-1-(2,4-dichlorophenyl)heptan-3-ol (PubChem CID 83928392) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol.

Molecular Properties

Compound Name4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
PubChem CID83928392
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-3-12(16)13(17)7-5-9-4-6-10(14)8-11(9)15/h4,6,8,12-13,17H,2-3,5,7,16H2,1H3
InChIKeyROPWSBIUOQQODF-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(2,4-dichlorophenyl)heptan-3-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

4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
1-(2,4-dichlorophenyl)hexan-3-amine
CID 43370461
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
1-(2,5-dichlorophenyl)hexane-3,4-diol
CID 83931430
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374
4-amino-1-(2-bromo-4,5-dimethylphenyl)heptan-3-ol
CID 83921957
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol?
The IUPAC name of 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol (CID 83928392) is 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol.
What is the SMILES notation for 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol?
The canonical SMILES for 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol is CCCC(N)C(O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol?
The InChIKey is ROPWSBIUOQQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-2-3-12(16)13(17)7-5-9-4-6-10(14)8-11(9)15/h4,6,8,12-13,17H,2-3,5,7,16H2,1H3.
What are the key properties of 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol?
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol has a molecular weight of 276.21 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dichlorophenyl)heptan-3-ol is sourced from PubChem (CID 83928392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).