6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine

C16H27NO — CID 83939848

IUPAC6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
SMILESCCOc1ccc(CCCC(N)CC)c(C)c1C
InChIInChI=1S/C16H27NO/c1-5-15(17)9-7-8-14-10-11-16(18-6-2)13(4)12(14)3/h10-11,15H,5-9,17H2,1-4H3
InChIKeyHZEGQEPKRSBOFG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.76
Rot. Bonds7

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

6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine (PubChem CID 83939848) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
PubChem CID83939848
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
SMILESCCOc1ccc(CCCC(N)CC)c(C)c1C
InChIInChI=1S/C16H27NO/c1-5-15(17)9-7-8-14-10-11-16(18-6-2)13(4)12(14)3/h10-11,15H,5-9,17H2,1-4H3
InChIKeyHZEGQEPKRSBOFG-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
CID 83939907
3-(4-ethoxy-2,3-dimethylphenyl)propanethioamide
CID 83939838
3-(4-ethoxy-2,3-dimethylphenyl)propyl thiocyanate
CID 112719350
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939804
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
4-amino-1-(2,3-dimethyl-4-propoxyphenyl)heptan-3-ol
CID 83940028

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine?
The IUPAC name of 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine (CID 83939848) is 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine.
What is the SMILES notation for 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine?
The canonical SMILES for 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine is CCOc1ccc(CCCC(N)CC)c(C)c1C.
What is the InChIKey of 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine?
The InChIKey is HZEGQEPKRSBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(17)9-7-8-14-10-11-16(18-6-2)13(4)12(14)3/h10-11,15H,5-9,17H2,1-4H3.
What are the key properties of 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine?
6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine is sourced from PubChem (CID 83939848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).