2-(2-ethylhexoxy)-3-methoxypropan-1-amine

C12H27NO2 — CID 103227887

IUPAC2-(2-ethylhexoxy)-3-methoxypropan-1-amine
SMILESCCCCC(CC)COC(CN)COC
InChIInChI=1S/C12H27NO2/c1-4-6-7-11(5-2)9-15-12(8-13)10-14-3/h11-12H,4-10,13H2,1-3H3
InChIKeyVACRXIWDIKRNSS-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds10

About 2-(2-ethylhexoxy)-3-methoxypropan-1-amine

2-(2-ethylhexoxy)-3-methoxypropan-1-amine (PubChem CID 103227887) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-3-methoxypropan-1-amine
PubChem CID103227887
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-(2-ethylhexoxy)-3-methoxypropan-1-amine
SMILESCCCCC(CC)COC(CN)COC
InChIInChI=1S/C12H27NO2/c1-4-6-7-11(5-2)9-15-12(8-13)10-14-3/h11-12H,4-10,13H2,1-3H3
InChIKeyVACRXIWDIKRNSS-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pentanamine, 3-[(2-ethylhexyl)oxy]-
CID 19432124
1-Amino-3-[(2-ethylhexyl)oxy]propan-2-OL
CID 19734691
2-(2-Ethylhexoxy)propan-1-amine
CID 53749876
2-(2-Ethylhexoxy)ethanamine
CID 18672806
1-(2-Aminoethoxy)-4-methylcyclohexane
CID 20119414
3-[[(3R,4R)-3,4,5-trimethyloxan-2-yl]methoxy]propan-1-amine
CID 58400153
2-(Cyclohexylmethoxy)propan-1-amine
CID 62381845
2-[2-(4-Ethylcyclohexyl)oxyethoxy]ethanamine
CID 69612034
2-[(2S,3R,4S)-2,4-dimethyloxan-3-yl]oxyethanamine
CID 89358094
3-[(2S,3R,4S)-2,4-dimethyloxan-3-yl]oxypropan-1-amine
CID 89358143
1-[2-(4-Methylpentoxy)propoxy]propan-2-amine
CID 122644804
(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine
CID 126668283

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-3-methoxypropan-1-amine?
The IUPAC name of 2-(2-ethylhexoxy)-3-methoxypropan-1-amine (CID 103227887) is 2-(2-ethylhexoxy)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxy)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(2-ethylhexoxy)-3-methoxypropan-1-amine is CCCCC(CC)COC(CN)COC.
What is the InChIKey of 2-(2-ethylhexoxy)-3-methoxypropan-1-amine?
The InChIKey is VACRXIWDIKRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-6-7-11(5-2)9-15-12(8-13)10-14-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 2-(2-ethylhexoxy)-3-methoxypropan-1-amine?
2-(2-ethylhexoxy)-3-methoxypropan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-3-methoxypropan-1-amine is sourced from PubChem (CID 103227887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).