2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride

C18H30ClNO2 — CID 3079947

IUPAC2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride
SMILESCCCCOC1(c2ccccc2)CN(CCCC)CCO1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-3-5-12-19-13-15-21-18(16-19,20-14-6-4-2)17-10-8-7-9-11-17;/h7-11H,3-6,12-16H2,1-2H3;1H
InChIKeyLYQDMRRTMCNWFN-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.21
Rot. Bonds8

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

2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride (PubChem CID 3079947) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride
PubChem CID3079947
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride
SMILESCCCCOC1(c2ccccc2)CN(CCCC)CCO1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-3-5-12-19-13-15-21-18(16-19,20-14-6-4-2)17-10-8-7-9-11-17;/h7-11H,3-6,12-16H2,1-2H3;1H
InChIKeyLYQDMRRTMCNWFN-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.21
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

4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride
CID 3079943
2-butoxy-4-methyl-2-phenylmorpholine;hydrochloride
CID 3079158
3-butoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
CID 3079953
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4,6-dimethyl-2-phenyl-2-propoxymorpholine
CID 3079157
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
CID 124573817
7-butyl-2-methoxy-1,10-dioxa-7-azaspiro[4.5]dec-3-ene
CID 71398140
(1S,3S)-1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 90870781
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
1-heptyl-3-methyl-3-phenylpiperazine
CID 64831697
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 62570408

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride?
The IUPAC name of 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride (CID 3079947) is 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride.
What is the SMILES notation for 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride?
The canonical SMILES for 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride is CCCCOC1(c2ccccc2)CN(CCCC)CCO1.Cl.
What is the InChIKey of 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride?
The InChIKey is LYQDMRRTMCNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-3-5-12-19-13-15-21-18(16-19,20-14-6-4-2)17-10-8-7-9-11-17;/h7-11H,3-6,12-16H2,1-2H3;1H.
What are the key properties of 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride?
2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-butyl-2-phenylmorpholine;hydrochloride is sourced from PubChem (CID 3079947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).