1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine

C15H25NO — CID 82552633

IUPAC1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine
SMILESCCCC(N)c1c(C)cc(OCC)c(C)c1C
InChIInChI=1S/C15H25NO/c1-6-8-13(16)15-10(3)9-14(17-7-2)11(4)12(15)5/h9,13H,6-8,16H2,1-5H3
InChIKeyXQQDMSROTZQQCU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine

1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine (PubChem CID 82552633) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine
PubChem CID82552633
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine
SMILESCCCC(N)c1c(C)cc(OCC)c(C)c1C
InChIInChI=1S/C15H25NO/c1-6-8-13(16)15-10(3)9-14(17-7-2)11(4)12(15)5/h9,13H,6-8,16H2,1-5H3
InChIKeyXQQDMSROTZQQCU-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
4-(4-chlorobutan-2-yl)-1-ethoxy-2,3,5-trimethylbenzene
CID 83939415
3-(4-ethoxy-2,3,6-trimethylphenyl)pentyl thiocyanate
CID 112719312
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
4-(4-ethoxy-2,3,6-trimethylphenyl)hexane-1,2-diol
CID 83939525
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82552270
1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol
CID 82266357
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine?
The IUPAC name of 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine (CID 82552633) is 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine is CCCC(N)c1c(C)cc(OCC)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine?
The InChIKey is XQQDMSROTZQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-8-13(16)15-10(3)9-14(17-7-2)11(4)12(15)5/h9,13H,6-8,16H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine?
1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 82552633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).