4-(1-phenylpropyl)morpholine;hydrochloride

C13H20ClNO — CID 3057367

IUPAC4-(1-phenylpropyl)morpholine;hydrochloride
SMILESCCC(c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14;/h3-7,13H,2,8-11H2,1H3;1H
InChIKeyMJFXXFQFCJICMM-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.89
Rot. Bonds3

About 4-(1-phenylpropyl)morpholine;hydrochloride

4-(1-phenylpropyl)morpholine;hydrochloride (PubChem CID 3057367) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-(1-phenylpropyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1-phenylpropyl)morpholine;hydrochloride
PubChem CID3057367
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-(1-phenylpropyl)morpholine;hydrochloride
SMILESCCC(c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14;/h3-7,13H,2,8-11H2,1H3;1H
InChIKeyMJFXXFQFCJICMM-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropyl)morpholine;hydrochloride?
The IUPAC name of 4-(1-phenylpropyl)morpholine;hydrochloride (CID 3057367) is 4-(1-phenylpropyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1-phenylpropyl)morpholine;hydrochloride?
The canonical SMILES for 4-(1-phenylpropyl)morpholine;hydrochloride is CCC(c1ccccc1)N1CCOCC1.Cl.
What is the InChIKey of 4-(1-phenylpropyl)morpholine;hydrochloride?
The InChIKey is MJFXXFQFCJICMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14;/h3-7,13H,2,8-11H2,1H3;1H.
What are the key properties of 4-(1-phenylpropyl)morpholine;hydrochloride?
4-(1-phenylpropyl)morpholine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropyl)morpholine;hydrochloride is sourced from PubChem (CID 3057367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).