3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride

C24H34ClNO2 — CID 24748019

IUPAC3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-4-20-10-12-22(13-11-20)24(26,19(2)3)23(21-8-6-5-7-9-21)18-25-14-16-27-17-15-25;/h5-13,19,23,26H,4,14-18H2,1-3H3;1H
InChIKeyNHEPLTRKTFGQIR-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.63
Rot. Bonds7

About 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride

3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride (PubChem CID 24748019) has the molecular formula C24H34ClNO2 and a molecular weight of 403.99 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride
PubChem CID24748019
Molecular FormulaC24H34ClNO2
Molecular Weight403.99 g/mol
Exact Mass403.23
IUPAC Name3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-4-20-10-12-22(13-11-20)24(26,19(2)3)23(21-8-6-5-7-9-21)18-25-14-16-27-17-15-25;/h5-13,19,23,26H,4,14-18H2,1-3H3;1H
InChIKeyNHEPLTRKTFGQIR-UHFFFAOYSA-N
XLogP4.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride (CID 24748019) is 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride is CCc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
The InChIKey is NHEPLTRKTFGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2.ClH/c1-4-20-10-12-22(13-11-20)24(26,19(2)3)23(21-8-6-5-7-9-21)18-25-14-16-27-17-15-25;/h5-13,19,23,26H,4,14-18H2,1-3H3;1H.
What are the key properties of 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride has a molecular weight of 403.99 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride is sourced from PubChem (CID 24748019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).