(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine

C16H27NO — CID 55188858

IUPAC(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
SMILESCCCCC(CC)COc1cccc([C@H](C)N)c1
InChIInChI=1S/C16H27NO/c1-4-6-8-14(5-2)12-18-16-10-7-9-15(11-16)13(3)17/h7,9-11,13-14H,4-6,8,12,17H2,1-3H3/t13-,14?/m0/s1
InChIKeyOSRFWSZFLWUFSM-LSLKUGRBSA-N
MW249.40 g/mol
LogP4.30
Rot. Bonds8

About (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine

(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine (PubChem CID 55188858) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
PubChem CID55188858
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
SMILESCCCCC(CC)COc1cccc([C@H](C)N)c1
InChIInChI=1S/C16H27NO/c1-4-6-8-14(5-2)12-18-16-10-7-9-15(11-16)13(3)17/h7,9-11,13-14H,4-6,8,12,17H2,1-3H3/t13-,14?/m0/s1
InChIKeyOSRFWSZFLWUFSM-LSLKUGRBSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
CID 63414147
1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
CID 43128566
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine
CID 134331280

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine (CID 55188858) is (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine is CCCCC(CC)COc1cccc([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine?
The InChIKey is OSRFWSZFLWUFSM-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-8-14(5-2)12-18-16-10-7-9-15(11-16)13(3)17/h7,9-11,13-14H,4-6,8,12,17H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine?
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine is sourced from PubChem (CID 55188858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).