2-[3-(2-ethylbutoxy)phenyl]ethanamine

C14H23NO — CID 82922399

IUPAC2-[3-(2-ethylbutoxy)phenyl]ethanamine
SMILESCCC(CC)COc1cccc(CCN)c1
InChIInChI=1S/C14H23NO/c1-3-12(4-2)11-16-14-7-5-6-13(10-14)8-9-15/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3
InChIKeyGOTUJTUSPQLHET-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds7

About 2-[3-(2-ethylbutoxy)phenyl]ethanamine

2-[3-(2-ethylbutoxy)phenyl]ethanamine (PubChem CID 82922399) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[3-(2-ethylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-ethylbutoxy)phenyl]ethanamine
PubChem CID82922399
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[3-(2-ethylbutoxy)phenyl]ethanamine
SMILESCCC(CC)COc1cccc(CCN)c1
InChIInChI=1S/C14H23NO/c1-3-12(4-2)11-16-14-7-5-6-13(10-14)8-9-15/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3
InChIKeyGOTUJTUSPQLHET-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
CID 163746108
4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
CID 139783783
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylbutoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-ethylbutoxy)phenyl]ethanamine (CID 82922399) is 2-[3-(2-ethylbutoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-ethylbutoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-ethylbutoxy)phenyl]ethanamine is CCC(CC)COc1cccc(CCN)c1.
What is the InChIKey of 2-[3-(2-ethylbutoxy)phenyl]ethanamine?
The InChIKey is GOTUJTUSPQLHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-12(4-2)11-16-14-7-5-6-13(10-14)8-9-15/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3.
What are the key properties of 2-[3-(2-ethylbutoxy)phenyl]ethanamine?
2-[3-(2-ethylbutoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 82922399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).