2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride

C15H24ClNO2 — CID 3079158

IUPAC2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride
SMILESCCCCOC1(c2ccccc2)CN(C)CCO1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-3-4-11-17-15(13-16(2)10-12-18-15)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3;1H
InChIKeyAZAFEEYKBIEZPH-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.04
Rot. Bonds5

About 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride

2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride (PubChem CID 3079158) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride
PubChem CID3079158
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride
SMILESCCCCOC1(c2ccccc2)CN(C)CCO1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-3-4-11-17-15(13-16(2)10-12-18-15)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3;1H
InChIKeyAZAFEEYKBIEZPH-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride
CID 3079947
4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride
CID 3079943
3-butoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
CID 3079953
4,6-dimethyl-2-phenyl-2-propoxymorpholine
CID 3079157
(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride
CID 173424902
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638
3-(2-butoxyethoxy)-3-phenyldioxirane
CID 174256197
2-butyl-2-chloro-4-methylmorpholine
CID 141318115
9-butoxy-9-(2-phenylethynyl)fluorene
CID 153436010
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
2-ethyl-4-methyl-2-propylmorpholine
CID 166075483

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride?
The IUPAC name of 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride (CID 3079158) is 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride.
What is the SMILES notation for 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride?
The canonical SMILES for 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride is CCCCOC1(c2ccccc2)CN(C)CCO1.Cl.
What is the InChIKey of 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride?
The InChIKey is AZAFEEYKBIEZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-3-4-11-17-15(13-16(2)10-12-18-15)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3;1H.
What are the key properties of 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride?
2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride is sourced from PubChem (CID 3079158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).