2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride

C14H22ClNO — CID 3024955

IUPAC2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride
SMILESCc1ccc(C2CN(C(C)C)CCO2)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11(2)15-8-9-16-14(10-15)13-6-4-12(3)5-7-13;/h4-7,11,14H,8-10H2,1-3H3;1H
InChIKeyBKINYCRPRYSIJE-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.20
Rot. Bonds2

About 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride

2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride (PubChem CID 3024955) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride
PubChem CID3024955
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride
SMILESCc1ccc(C2CN(C(C)C)CCO2)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11(2)15-8-9-16-14(10-15)13-6-4-12(3)5-7-13;/h4-7,11,14H,8-10H2,1-3H3;1H
InChIKeyBKINYCRPRYSIJE-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride (CID 3024955) is 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride is Cc1ccc(C2CN(C(C)C)CCO2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride?
The InChIKey is BKINYCRPRYSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-11(2)15-8-9-16-14(10-15)13-6-4-12(3)5-7-13;/h4-7,11,14H,8-10H2,1-3H3;1H.
What are the key properties of 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride?
2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-propan-2-ylmorpholine;hydrochloride is sourced from PubChem (CID 3024955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).