[4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol

C25H35NO — CID 68632581

IUPAC[4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol
SMILESCN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1
InChIInChI=1S/C25H35NO/c1-26(2)25(23-14-7-4-8-15-23)19-17-24(21-27,18-20-25)16-10-9-13-22-11-5-3-6-12-22/h3-8,11-12,14-15,27H,9-10,13,16-21H2,1-2H3
InChIKeyBROMZAHMHRNILO-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.41
Rot. Bonds8

About [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol

[4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol (PubChem CID 68632581) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol
PubChem CID68632581
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name[4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol
SMILESCN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1
InChIInChI=1S/C25H35NO/c1-26(2)25(23-14-7-4-8-15-23)19-17-24(21-27,18-20-25)16-10-9-13-22-11-5-3-6-12-22/h3-8,11-12,14-15,27H,9-10,13,16-21H2,1-2H3
InChIKeyBROMZAHMHRNILO-UHFFFAOYSA-N
XLogP5.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol?
The IUPAC name of [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol (CID 68632581) is [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol?
The canonical SMILES for [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol is CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1.
What is the InChIKey of [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol?
The InChIKey is BROMZAHMHRNILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-26(2)25(23-14-7-4-8-15-23)19-17-24(21-27,18-20-25)16-10-9-13-22-11-5-3-6-12-22/h3-8,11-12,14-15,27H,9-10,13,16-21H2,1-2H3.
What are the key properties of [4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol?
[4-(dimethylamino)-4-phenyl-1-(4-phenylbutyl)cyclohexyl]methanol has a molecular weight of 365.56 g/mol, XLogP of 5.41, 8 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-(4-phenylbutyl)cyclohexyl]methanol is sourced from PubChem (CID 68632581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).