4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride

C15H24ClNO — CID 3024961

IUPAC4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride
SMILESCc1ccc(C2CN(C(C)(C)C)CCO2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-12-5-7-13(8-6-12)14-11-16(9-10-17-14)15(2,3)4;/h5-8,14H,9-11H2,1-4H3;1H
InChIKeyHOEXSWKCMPEQMP-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.59
Rot. Bonds1

About 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride

4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride (PubChem CID 3024961) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride
PubChem CID3024961
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride
SMILESCc1ccc(C2CN(C(C)(C)C)CCO2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-12-5-7-13(8-6-12)14-11-16(9-10-17-14)15(2,3)4;/h5-8,14H,9-11H2,1-4H3;1H
InChIKeyHOEXSWKCMPEQMP-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride?
The IUPAC name of 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride (CID 3024961) is 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride.
What is the SMILES notation for 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride?
The canonical SMILES for 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride is Cc1ccc(C2CN(C(C)(C)C)CCO2)cc1.Cl.
What is the InChIKey of 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride?
The InChIKey is HOEXSWKCMPEQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-12-5-7-13(8-6-12)14-11-16(9-10-17-14)15(2,3)4;/h5-8,14H,9-11H2,1-4H3;1H.
What are the key properties of 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride?
4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 3024961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).