5-amino-2-(2-chlorophenyl)octan-4-ol

C14H22ClNO — CID 83924268

IUPAC5-amino-2-(2-chlorophenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-3-6-13(16)14(17)9-10(2)11-7-4-5-8-12(11)15/h4-5,7-8,10,13-14,17H,3,6,9,16H2,1-2H3
InChIKeyWGCMFVNYCUMIDE-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.32
Rot. Bonds6

About 5-amino-2-(2-chlorophenyl)octan-4-ol

5-amino-2-(2-chlorophenyl)octan-4-ol (PubChem CID 83924268) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-amino-2-(2-chlorophenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2-chlorophenyl)octan-4-ol
PubChem CID83924268
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-amino-2-(2-chlorophenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-3-6-13(16)14(17)9-10(2)11-7-4-5-8-12(11)15/h4-5,7-8,10,13-14,17H,3,6,9,16H2,1-2H3
InChIKeyWGCMFVNYCUMIDE-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-2-(2-chlorophenyl)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-(2-bromophenyl)octan-4-ol
CID 83924164
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505
5-amino-2-(2,3-dimethylphenyl)octan-4-ol
CID 83922078
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chlorophenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2-chlorophenyl)octan-4-ol (CID 83924268) is 5-amino-2-(2-chlorophenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2-chlorophenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2-chlorophenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1ccccc1Cl.
What is the InChIKey of 5-amino-2-(2-chlorophenyl)octan-4-ol?
The InChIKey is WGCMFVNYCUMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-6-13(16)14(17)9-10(2)11-7-4-5-8-12(11)15/h4-5,7-8,10,13-14,17H,3,6,9,16H2,1-2H3.
What are the key properties of 5-amino-2-(2-chlorophenyl)octan-4-ol?
5-amino-2-(2-chlorophenyl)octan-4-ol has a molecular weight of 255.79 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chlorophenyl)octan-4-ol is sourced from PubChem (CID 83924268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).