2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride

C19H40ClNO3 — CID 173446629

IUPAC2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCCCCCCCCCCOCC1CN(CCO)CCO1.Cl
InChIInChI=1S/C19H39NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-22-18-19-17-20(12-14-21)13-16-23-19;/h19,21H,2-18H2,1H3;1H
InChIKeyYTNGCSSWBDFJJQ-UHFFFAOYSA-N
MW365.99 g/mol
LogP4.04
Rot. Bonds15

About 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride

2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride (PubChem CID 173446629) has the molecular formula C19H40ClNO3 and a molecular weight of 365.99 g/mol. Its IUPAC name is 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride
PubChem CID173446629
Molecular FormulaC19H40ClNO3
Molecular Weight365.99 g/mol
Exact Mass365.27
IUPAC Name2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCCCCCCCCCCOCC1CN(CCO)CCO1.Cl
InChIInChI=1S/C19H39NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-22-18-19-17-20(12-14-21)13-16-23-19;/h19,21H,2-18H2,1H3;1H
InChIKeyYTNGCSSWBDFJJQ-UHFFFAOYSA-N
XLogP4.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.99
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-2-(propoxymethyl)morpholine;ethane
CID 169214166
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682
4-dodecyl-2-ethylmorpholine
CID 4616518
(2S)-2-butyl-4-decylmorpholine
CID 98152093
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride (CID 173446629) is 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride is CCCCCCCCCCCCOCC1CN(CCO)CCO1.Cl.
What is the InChIKey of 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride?
The InChIKey is YTNGCSSWBDFJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-22-18-19-17-20(12-14-21)13-16-23-19;/h19,21H,2-18H2,1H3;1H.
What are the key properties of 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride?
2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride has a molecular weight of 365.99 g/mol, XLogP of 4.04, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 173446629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).