2-benzyl-4-dodecylmorpholine

C23H39NO — CID 70634633

IUPAC2-benzyl-4-dodecylmorpholine
SMILESCCCCCCCCCCCCN1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-14-17-24-18-19-25-23(21-24)20-22-15-12-11-13-16-22/h11-13,15-16,23H,2-10,14,17-21H2,1H3
InChIKeyCHVASGYCSJZSRH-UHFFFAOYSA-N
MW345.57 g/mol
LogP5.85
Rot. Bonds13

About 2-benzyl-4-dodecylmorpholine

2-benzyl-4-dodecylmorpholine (PubChem CID 70634633) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-benzyl-4-dodecylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-dodecylmorpholine
PubChem CID70634633
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC Name2-benzyl-4-dodecylmorpholine
SMILESCCCCCCCCCCCCN1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-14-17-24-18-19-25-23(21-24)20-22-15-12-11-13-16-22/h11-13,15-16,23H,2-10,14,17-21H2,1H3
InChIKeyCHVASGYCSJZSRH-UHFFFAOYSA-N
XLogP5.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyl-2-ethylmorpholine
CID 4616518
(2S)-2-butyl-4-decylmorpholine
CID 98152093
3-benzyl-1-octylpyrrolidine
CID 58576677
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
3-benzyl-1-octylpiperazine
CID 64833102
3-(2-benzylmorpholin-4-yl)-1-(4-chlorophenyl)propan-1-one
CID 155967429
1-benzyl-4-heptylpiperazine
CID 22088087
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 102604196

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-dodecylmorpholine?
The IUPAC name of 2-benzyl-4-dodecylmorpholine (CID 70634633) is 2-benzyl-4-dodecylmorpholine.
What is the SMILES notation for 2-benzyl-4-dodecylmorpholine?
The canonical SMILES for 2-benzyl-4-dodecylmorpholine is CCCCCCCCCCCCN1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4-dodecylmorpholine?
The InChIKey is CHVASGYCSJZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-14-17-24-18-19-25-23(21-24)20-22-15-12-11-13-16-22/h11-13,15-16,23H,2-10,14,17-21H2,1H3.
What are the key properties of 2-benzyl-4-dodecylmorpholine?
2-benzyl-4-dodecylmorpholine has a molecular weight of 345.57 g/mol, XLogP of 5.85, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-dodecylmorpholine is sourced from PubChem (CID 70634633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).