4-(3-phenylbutyl)morpholine

C14H21NO — CID 2845822

IUPAC4-(3-phenylbutyl)morpholine
SMILESCC(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3
InChIKeyNLMUTNTVABGYTP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.51
Rot. Bonds4

About 4-(3-phenylbutyl)morpholine

4-(3-phenylbutyl)morpholine (PubChem CID 2845822) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(3-phenylbutyl)morpholine.

Molecular Properties

Compound Name4-(3-phenylbutyl)morpholine
PubChem CID2845822
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(3-phenylbutyl)morpholine
SMILESCC(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3
InChIKeyNLMUTNTVABGYTP-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylbutyl)morpholine?
The IUPAC name of 4-(3-phenylbutyl)morpholine (CID 2845822) is 4-(3-phenylbutyl)morpholine.
What is the SMILES notation for 4-(3-phenylbutyl)morpholine?
The canonical SMILES for 4-(3-phenylbutyl)morpholine is CC(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(3-phenylbutyl)morpholine?
The InChIKey is NLMUTNTVABGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-(3-phenylbutyl)morpholine?
4-(3-phenylbutyl)morpholine has a molecular weight of 219.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylbutyl)morpholine is sourced from PubChem (CID 2845822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).