1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol

C29H35NO — CID 174385984

IUPAC1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol
SMILESCN(C)C(Cc1ccccc1)C1CC(c2ccccc2)CCC1(O)Cc1ccccc1
InChIInChI=1S/C29H35NO/c1-30(2)28(20-23-12-6-3-7-13-23)27-21-26(25-16-10-5-11-17-25)18-19-29(27,31)22-24-14-8-4-9-15-24/h3-17,26-28,31H,18-22H2,1-2H3
InChIKeyGIXYRUVCFRZFOV-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.72
Rot. Bonds7

About 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol

1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol (PubChem CID 174385984) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol
PubChem CID174385984
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol
SMILESCN(C)C(Cc1ccccc1)C1CC(c2ccccc2)CCC1(O)Cc1ccccc1
InChIInChI=1S/C29H35NO/c1-30(2)28(20-23-12-6-3-7-13-23)27-21-26(25-16-10-5-11-17-25)18-19-29(27,31)22-24-14-8-4-9-15-24/h3-17,26-28,31H,18-22H2,1-2H3
InChIKeyGIXYRUVCFRZFOV-UHFFFAOYSA-N
XLogP5.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol?
The IUPAC name of 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol (CID 174385984) is 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol?
The canonical SMILES for 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol is CN(C)C(Cc1ccccc1)C1CC(c2ccccc2)CCC1(O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol?
The InChIKey is GIXYRUVCFRZFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-30(2)28(20-23-12-6-3-7-13-23)27-21-26(25-16-10-5-11-17-25)18-19-29(27,31)22-24-14-8-4-9-15-24/h3-17,26-28,31H,18-22H2,1-2H3.
What are the key properties of 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol?
1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol has a molecular weight of 413.61 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 174385984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).