1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride

C21H36ClNO — CID 3041196

IUPAC1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride
SMILESCCN(CC)CCCc1ccc(CCC2(O)CCCCC2)cc1.Cl
InChIInChI=1S/C21H35NO.ClH/c1-3-22(4-2)18-8-9-19-10-12-20(13-11-19)14-17-21(23)15-6-5-7-16-21;/h10-13,23H,3-9,14-18H2,1-2H3;1H
InChIKeyUZJBZCDQJFZXIV-UHFFFAOYSA-N
MW353.98 g/mol
LogP5.01
Rot. Bonds9

About 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride

1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride (PubChem CID 3041196) has the molecular formula C21H36ClNO and a molecular weight of 353.98 g/mol. Its IUPAC name is 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride
PubChem CID3041196
Molecular FormulaC21H36ClNO
Molecular Weight353.98 g/mol
Exact Mass353.25
IUPAC Name1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride
SMILESCCN(CC)CCCc1ccc(CCC2(O)CCCCC2)cc1.Cl
InChIInChI=1S/C21H35NO.ClH/c1-3-22(4-2)18-8-9-19-10-12-20(13-11-19)14-17-21(23)15-6-5-7-16-21;/h10-13,23H,3-9,14-18H2,1-2H3;1H
InChIKeyUZJBZCDQJFZXIV-UHFFFAOYSA-N
XLogP5.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.98
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride (CID 3041196) is 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride is CCN(CC)CCCc1ccc(CCC2(O)CCCCC2)cc1.Cl.
What is the InChIKey of 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is UZJBZCDQJFZXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO.ClH/c1-3-22(4-2)18-8-9-19-10-12-20(13-11-19)14-17-21(23)15-6-5-7-16-21;/h10-13,23H,3-9,14-18H2,1-2H3;1H.
What are the key properties of 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 353.98 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 3041196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).