4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride

C22H30ClNO — CID 10109139

IUPAC4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19;/h3-12,24H,13-18H2,1-2H3;1H
InChIKeySMYCVBFCVBQSTI-UHFFFAOYSA-N
MW359.94 g/mol
LogP4.80
Rot. Bonds5

About 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride

4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 10109139) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
PubChem CID10109139
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC Name4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19;/h3-12,24H,13-18H2,1-2H3;1H
InChIKeySMYCVBFCVBQSTI-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride (CID 10109139) is 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride is CN(C)C1(c2ccccc2)CCC(O)(CCc2ccccc2)CC1.Cl.
What is the InChIKey of 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is SMYCVBFCVBQSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.ClH/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19;/h3-12,24H,13-18H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 10109139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).