1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol

C14H31NO2 — CID 66335346

IUPAC1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
SMILESCCCCC(CC)COCC(C)(O)CNCC
InChIInChI=1S/C14H31NO2/c1-5-8-9-13(6-2)10-17-12-14(4,16)11-15-7-3/h13,15-16H,5-12H2,1-4H3
InChIKeyHVFILMJETJUSJC-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.58
Rot. Bonds11

About 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol

1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol (PubChem CID 66335346) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
PubChem CID66335346
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
SMILESCCCCC(CC)COCC(C)(O)CNCC
InChIInChI=1S/C14H31NO2/c1-5-8-9-13(6-2)10-17-12-14(4,16)11-15-7-3/h13,15-16H,5-12H2,1-4H3
InChIKeyHVFILMJETJUSJC-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040
3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
CID 79626671
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
CID 55192880
1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
CID 64815027
[2-(dihydroxyphosphanyloxymethyl)-2-(2-ethylhexoxymethyl)-3-hydroxypropyl] dihydrogen phosphite
CID 56632827
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
2-ethylhexoxymethanol
CID 18783221
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol (CID 66335346) is 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol is CCCCC(CC)COCC(C)(O)CNCC.
What is the InChIKey of 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol?
The InChIKey is HVFILMJETJUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-8-9-13(6-2)10-17-12-14(4,16)11-15-7-3/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol?
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 66335346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).