3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine

C16H23NO — CID 112745796

IUPAC3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine
SMILESCC(CC1COCCN1)CC1Cc2ccccc21
InChIInChI=1S/C16H23NO/c1-12(9-15-11-18-7-6-17-15)8-14-10-13-4-2-3-5-16(13)14/h2-5,12,14-15,17H,6-11H2,1H3
InChIKeyWZUSNKHAHBMDHL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.73
Rot. Bonds4

About 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine

3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine (PubChem CID 112745796) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine.

Molecular Properties

Compound Name3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine
PubChem CID112745796
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine
SMILESCC(CC1COCCN1)CC1Cc2ccccc21
InChIInChI=1S/C16H23NO/c1-12(9-15-11-18-7-6-17-15)8-14-10-13-4-2-3-5-16(13)14/h2-5,12,14-15,17H,6-11H2,1H3
InChIKeyWZUSNKHAHBMDHL-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
1-(2-methoxyphenyl)-2-morpholin-3-ylethanol
CID 81466986
1-(2-fluorophenyl)-N,N-dimethyl-2-morpholin-3-ylethanamine
CID 116911058
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)propan-2-amine
CID 66419915
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-phenylethanamine
CID 66419580
1-(3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941527
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
CID 116941475
2-morpholin-3-yl-1-naphthalen-2-ylethanamine
CID 116941547
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-(benzenesulfonylmethyl)morpholine
CID 117037196
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057593

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine?
The IUPAC name of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine (CID 112745796) is 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine.
What is the SMILES notation for 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine?
The canonical SMILES for 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine is CC(CC1COCCN1)CC1Cc2ccccc21.
What is the InChIKey of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine?
The InChIKey is WZUSNKHAHBMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(9-15-11-18-7-6-17-15)8-14-10-13-4-2-3-5-16(13)14/h2-5,12,14-15,17H,6-11H2,1H3.
What are the key properties of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine?
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine has a molecular weight of 245.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropyl]morpholine is sourced from PubChem (CID 112745796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).