1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide

C18H38BrNO2 — CID 173370382

IUPAC1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
SMILESBr.CCCCCCCCCCCCC1(C(C)O)CNCCO1
InChIInChI=1S/C18H37NO2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-18(17(2)20)16-19-14-15-21-18;/h17,19-20H,3-16H2,1-2H3;1H
InChIKeyKGFVHYGBCOWOAE-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.61
Rot. Bonds12

About 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide

1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide (PubChem CID 173370382) has the molecular formula C18H38BrNO2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
PubChem CID173370382
Molecular FormulaC18H38BrNO2
Molecular Weight380.41 g/mol
Exact Mass379.21
IUPAC Name1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
SMILESBr.CCCCCCCCCCCCC1(C(C)O)CNCCO1
InChIInChI=1S/C18H37NO2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-18(17(2)20)16-19-14-15-21-18;/h17,19-20H,3-16H2,1-2H3;1H
InChIKeyKGFVHYGBCOWOAE-UHFFFAOYSA-N
XLogP4.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pentylmorpholin-2-yl)propan-1-amine
CID 174330339
2-dodecyl-2-methylmorpholine;hydrobromide
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2,2-didodecylmorpholine;hydrofluoride
CID 173000581
2-ethyl-2-octylmorpholine;hydrate;hydrochloride
CID 67566490
azane;2-bromo-2-octylmorpholine
CID 174988461
2-hexyl-2-propan-2-yloxirane
CID 170634762
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
1-(2-propyloxetan-2-yl)ethanol
CID 68634857
1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine
CID 174791741
2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
1-(1-hexylcyclopropyl)ethanol
CID 106798180
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062

Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide?
The IUPAC name of 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide (CID 173370382) is 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide.
What is the SMILES notation for 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide?
The canonical SMILES for 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide is Br.CCCCCCCCCCCCC1(C(C)O)CNCCO1.
What is the InChIKey of 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide?
The InChIKey is KGFVHYGBCOWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-18(17(2)20)16-19-14-15-21-18;/h17,19-20H,3-16H2,1-2H3;1H.
What are the key properties of 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide?
1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide has a molecular weight of 380.41 g/mol, XLogP of 4.61, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide is sourced from PubChem (CID 173370382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).