5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine

C17H29NO — CID 83939473

IUPAC5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
SMILESCCOc1cc(C)c(C(C)CCC(C)N)c(C)c1C
InChIInChI=1S/C17H29NO/c1-7-19-16-10-12(3)17(15(6)14(16)5)11(2)8-9-13(4)18/h10-11,13H,7-9,18H2,1-6H3
InChIKeyZQHNYGVLUCCWEX-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.24
Rot. Bonds6

About 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine

5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine (PubChem CID 83939473) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
PubChem CID83939473
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
SMILESCCOc1cc(C)c(C(C)CCC(C)N)c(C)c1C
InChIInChI=1S/C17H29NO/c1-7-19-16-10-12(3)17(15(6)14(16)5)11(2)8-9-13(4)18/h10-11,13H,7-9,18H2,1-6H3
InChIKeyZQHNYGVLUCCWEX-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine 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

4-(4-chlorobutan-2-yl)-1-ethoxy-2,3,5-trimethylbenzene
CID 83939415
1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine
CID 82552633
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
3-(4-ethoxy-2,3,6-trimethylphenyl)pentyl thiocyanate
CID 112719312
3-(2,3,6-trimethyl-4-propoxyphenyl)butyl thiocyanate
CID 112719322
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
4-(4-ethoxy-2,3,6-trimethylphenyl)hexane-1,2-diol
CID 83939525

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine?
The IUPAC name of 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine (CID 83939473) is 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine.
What is the SMILES notation for 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine?
The canonical SMILES for 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine is CCOc1cc(C)c(C(C)CCC(C)N)c(C)c1C.
What is the InChIKey of 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine?
The InChIKey is ZQHNYGVLUCCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-19-16-10-12(3)17(15(6)14(16)5)11(2)8-9-13(4)18/h10-11,13H,7-9,18H2,1-6H3.
What are the key properties of 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine?
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine is sourced from PubChem (CID 83939473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).