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

C16H27NO — CID 83922078

IUPAC5-amino-2-(2,3-dimethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cccc(C)c1C
InChIInChI=1S/C16H27NO/c1-5-7-15(17)16(18)10-12(3)14-9-6-8-11(2)13(14)4/h6,8-9,12,15-16,18H,5,7,10,17H2,1-4H3
InChIKeyJRSZKDCGDHXEFQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds6

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

5-amino-2-(2,3-dimethylphenyl)octan-4-ol (PubChem CID 83922078) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-amino-2-(2,3-dimethylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2,3-dimethylphenyl)octan-4-ol
PubChem CID83922078
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-amino-2-(2,3-dimethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cccc(C)c1C
InChIInChI=1S/C16H27NO/c1-5-7-15(17)16(18)10-12(3)14-9-6-8-11(2)13(14)4/h6,8-9,12,15-16,18H,5,7,10,17H2,1-4H3
InChIKeyJRSZKDCGDHXEFQ-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
5-amino-2-(2-bromophenyl)octan-4-ol
CID 83924164
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
1-(4-bromopentan-2-yl)-2,3-dimethylbenzene
CID 64718581
1-(4-chloropentan-2-yl)-2,3-dimethylbenzene
CID 64719009
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263
5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dimethylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2,3-dimethylphenyl)octan-4-ol (CID 83922078) is 5-amino-2-(2,3-dimethylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2,3-dimethylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2,3-dimethylphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1cccc(C)c1C.
What is the InChIKey of 5-amino-2-(2,3-dimethylphenyl)octan-4-ol?
The InChIKey is JRSZKDCGDHXEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-15(17)16(18)10-12(3)14-9-6-8-11(2)13(14)4/h6,8-9,12,15-16,18H,5,7,10,17H2,1-4H3.
What are the key properties of 5-amino-2-(2,3-dimethylphenyl)octan-4-ol?
5-amino-2-(2,3-dimethylphenyl)octan-4-ol has a molecular weight of 249.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dimethylphenyl)octan-4-ol is sourced from PubChem (CID 83922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).