2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine

C17H29NO — CID 112614853

IUPAC2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine
SMILESCCCCC(CC)COc1c(C)cccc1CCN
InChIInChI=1S/C17H29NO/c1-4-6-9-15(5-2)13-19-17-14(3)8-7-10-16(17)11-12-18/h7-8,10,15H,4-6,9,11-13,18H2,1-3H3
InChIKeySYQIXQFBBJTTLS-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.09
Rot. Bonds9

About 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine

2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine (PubChem CID 112614853) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine
PubChem CID112614853
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine
SMILESCCCCC(CC)COc1c(C)cccc1CCN
InChIInChI=1S/C17H29NO/c1-4-6-9-15(5-2)13-19-17-14(3)8-7-10-16(17)11-12-18/h7-8,10,15H,4-6,9,11-13,18H2,1-3H3
InChIKeySYQIXQFBBJTTLS-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
1-(2-methyl-6-propylphenoxy)butan-2-amine
CID 45097705
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
1-chloro-3-[3-chloro-2-(2-ethylhexoxy)-6-methylphenyl]-2-(2-ethylhexoxy)-4-methylbenzene
CID 21028376
5-[2-(2-aminoethyl)-6-methylphenoxy]pentanenitrile
CID 112614744
1-(bromomethyl)-3-ethoxy-2-(2-ethylhexoxy)benzene
CID 63536030
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine (CID 112614853) is 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine is CCCCC(CC)COc1c(C)cccc1CCN.
What is the InChIKey of 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine?
The InChIKey is SYQIXQFBBJTTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-9-15(5-2)13-19-17-14(3)8-7-10-16(17)11-12-18/h7-8,10,15H,4-6,9,11-13,18H2,1-3H3.
What are the key properties of 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine?
2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 112614853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).