5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol

C16H26ClNO3 — CID 83943374

IUPAC5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C16H26ClNO3/c1-5-6-13(18)14(19)7-10(2)11-8-12(17)16(21-4)9-15(11)20-3/h8-10,13-14,19H,5-7,18H2,1-4H3
InChIKeyRMNPDRHMDOYZIA-UHFFFAOYSA-N
MW315.84 g/mol
LogP3.34
Rot. Bonds8

About 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol

5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol (PubChem CID 83943374) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
PubChem CID83943374
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C16H26ClNO3/c1-5-6-13(18)14(19)7-10(2)11-8-12(17)16(21-4)9-15(11)20-3/h8-10,13-14,19H,5-7,18H2,1-4H3
InChIKeyRMNPDRHMDOYZIA-UHFFFAOYSA-N
XLogP3.34
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
5-amino-2-(4,5-diethoxy-2-fluorophenyl)octan-4-ol
CID 83923165
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
5-amino-2-(2-bromophenyl)octan-4-ol
CID 83924164

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol (CID 83943374) is 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol?
The InChIKey is RMNPDRHMDOYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-5-6-13(18)14(19)7-10(2)11-8-12(17)16(21-4)9-15(11)20-3/h8-10,13-14,19H,5-7,18H2,1-4H3.
What are the key properties of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol?
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol has a molecular weight of 315.84 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol is sourced from PubChem (CID 83943374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).