4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride

C19H24ClNO — CID 3039665

IUPAC4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride
SMILESCl.c1ccc(-c2ccc(CCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO.ClH/c1-2-6-18(7-3-1)19-10-8-17(9-11-19)5-4-12-20-13-15-21-16-14-20;/h1-3,6-11H,4-5,12-16H2;1H
InChIKeyBADFOFNTZYJKPW-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.04
Rot. Bonds5

About 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride

4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride (PubChem CID 3039665) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride
PubChem CID3039665
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride
SMILESCl.c1ccc(-c2ccc(CCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO.ClH/c1-2-6-18(7-3-1)19-10-8-17(9-11-19)5-4-12-20-13-15-21-16-14-20;/h1-3,6-11H,4-5,12-16H2;1H
InChIKeyBADFOFNTZYJKPW-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride (CID 3039665) is 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride is Cl.c1ccc(-c2ccc(CCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride?
The InChIKey is BADFOFNTZYJKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-2-6-18(7-3-1)19-10-8-17(9-11-19)5-4-12-20-13-15-21-16-14-20;/h1-3,6-11H,4-5,12-16H2;1H.
What are the key properties of 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride?
4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenylphenyl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 3039665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).