4-(3,4-dimethylnaphthalen-1-yl)morpholine

C16H19NO — CID 71623749

IUPAC4-(3,4-dimethylnaphthalen-1-yl)morpholine
SMILESCc1cc(N2CCOCC2)c2ccccc2c1C
InChIInChI=1S/C16H19NO/c1-12-11-16(17-7-9-18-10-8-17)15-6-4-3-5-14(15)13(12)2/h3-6,11H,7-10H2,1-2H3
InChIKeyPPHSDPWTUPNBSF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds1

About 4-(3,4-dimethylnaphthalen-1-yl)morpholine

4-(3,4-dimethylnaphthalen-1-yl)morpholine (PubChem CID 71623749) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(3,4-dimethylnaphthalen-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,4-dimethylnaphthalen-1-yl)morpholine
PubChem CID71623749
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(3,4-dimethylnaphthalen-1-yl)morpholine
SMILESCc1cc(N2CCOCC2)c2ccccc2c1C
InChIInChI=1S/C16H19NO/c1-12-11-16(17-7-9-18-10-8-17)15-6-4-3-5-14(15)13(12)2/h3-6,11H,7-10H2,1-2H3
InChIKeyPPHSDPWTUPNBSF-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylnaphthalen-1-yl)morpholine?
The IUPAC name of 4-(3,4-dimethylnaphthalen-1-yl)morpholine (CID 71623749) is 4-(3,4-dimethylnaphthalen-1-yl)morpholine.
What is the SMILES notation for 4-(3,4-dimethylnaphthalen-1-yl)morpholine?
The canonical SMILES for 4-(3,4-dimethylnaphthalen-1-yl)morpholine is Cc1cc(N2CCOCC2)c2ccccc2c1C.
What is the InChIKey of 4-(3,4-dimethylnaphthalen-1-yl)morpholine?
The InChIKey is PPHSDPWTUPNBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-11-16(17-7-9-18-10-8-17)15-6-4-3-5-14(15)13(12)2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-(3,4-dimethylnaphthalen-1-yl)morpholine?
4-(3,4-dimethylnaphthalen-1-yl)morpholine has a molecular weight of 241.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylnaphthalen-1-yl)morpholine is sourced from PubChem (CID 71623749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).