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

C16H27NO — CID 83928076

IUPAC5-amino-2-(2,4-dimethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-6-15(17)16(18)10-13(4)14-8-7-11(2)9-12(14)3/h7-9,13,15-16,18H,5-6,10,17H2,1-4H3
InChIKeyRVBCCXJAFZGVFX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds6

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

5-amino-2-(2,4-dimethylphenyl)octan-4-ol (PubChem CID 83928076) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-amino-2-(2,4-dimethylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2,4-dimethylphenyl)octan-4-ol
PubChem CID83928076
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-amino-2-(2,4-dimethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-6-15(17)16(18)10-13(4)14-8-7-11(2)9-12(14)3/h7-9,13,15-16,18H,5-6,10,17H2,1-4H3
InChIKeyRVBCCXJAFZGVFX-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-(2,3-dimethylphenyl)octan-4-ol
CID 83922078
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
CID 83922921
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
5-amino-2-(2-bromophenyl)octan-4-ol
CID 83924164
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263
6-(2,4-dimethylphenyl)heptan-3-amine
CID 83927991

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,4-dimethylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2,4-dimethylphenyl)octan-4-ol (CID 83928076) is 5-amino-2-(2,4-dimethylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2,4-dimethylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2,4-dimethylphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1ccc(C)cc1C.
What is the InChIKey of 5-amino-2-(2,4-dimethylphenyl)octan-4-ol?
The InChIKey is RVBCCXJAFZGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-15(17)16(18)10-13(4)14-8-7-11(2)9-12(14)3/h7-9,13,15-16,18H,5-6,10,17H2,1-4H3.
What are the key properties of 5-amino-2-(2,4-dimethylphenyl)octan-4-ol?
5-amino-2-(2,4-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-(2,4-dimethylphenyl)octan-4-ol is sourced from PubChem (CID 83928076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).