4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine

C20H31NO — CID 70837403

IUPAC4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine
SMILESCc1ccc(C)c(C(CC(C)(C)C2CC2)N2CCOCC2)c1
InChIInChI=1S/C20H31NO/c1-15-5-6-16(2)18(13-15)19(21-9-11-22-12-10-21)14-20(3,4)17-7-8-17/h5-6,13,17,19H,7-12,14H2,1-4H3
InChIKeyYBAPKFDFDBOZEZ-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.50
Rot. Bonds5

About 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine

4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine (PubChem CID 70837403) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine.

Molecular Properties

Compound Name4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine
PubChem CID70837403
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine
SMILESCc1ccc(C)c(C(CC(C)(C)C2CC2)N2CCOCC2)c1
InChIInChI=1S/C20H31NO/c1-15-5-6-16(2)18(13-15)19(21-9-11-22-12-10-21)14-20(3,4)17-7-8-17/h5-6,13,17,19H,7-12,14H2,1-4H3
InChIKeyYBAPKFDFDBOZEZ-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine?
The IUPAC name of 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine (CID 70837403) is 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine.
What is the SMILES notation for 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine?
The canonical SMILES for 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine is Cc1ccc(C)c(C(CC(C)(C)C2CC2)N2CCOCC2)c1.
What is the InChIKey of 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine?
The InChIKey is YBAPKFDFDBOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-15-5-6-16(2)18(13-15)19(21-9-11-22-12-10-21)14-20(3,4)17-7-8-17/h5-6,13,17,19H,7-12,14H2,1-4H3.
What are the key properties of 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine?
4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine has a molecular weight of 301.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine is sourced from PubChem (CID 70837403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).