5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol

C15H24ClNO2 — CID 83942505

IUPAC5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H24ClNO2/c1-4-5-14(17)15(18)8-10(2)12-7-6-11(19-3)9-13(12)16/h6-7,9-10,14-15,18H,4-5,8,17H2,1-3H3
InChIKeyDFKZQJZKQVBXHS-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.33
Rot. Bonds7

About 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol

5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol (PubChem CID 83942505) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
PubChem CID83942505
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H24ClNO2/c1-4-5-14(17)15(18)8-10(2)12-7-6-11(19-3)9-13(12)16/h6-7,9-10,14-15,18H,4-5,8,17H2,1-3H3
InChIKeyDFKZQJZKQVBXHS-UHFFFAOYSA-N
XLogP3.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol (CID 83942505) is 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1ccc(OC)cc1Cl.
What is the InChIKey of 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol?
The InChIKey is DFKZQJZKQVBXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-5-14(17)15(18)8-10(2)12-7-6-11(19-3)9-13(12)16/h6-7,9-10,14-15,18H,4-5,8,17H2,1-3H3.
What are the key properties of 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol?
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol has a molecular weight of 285.81 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol is sourced from PubChem (CID 83942505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).