2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol

C24H31NO — CID 69339651

IUPAC2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)CCc1ccccc1
InChIInChI=1S/C24H31NO/c1-25(2)19-23-15-9-14-22(18-21-12-7-4-8-13-21)24(23,26)17-16-20-10-5-3-6-11-20/h3-8,10-13,18,23,26H,9,14-17,19H2,1-2H3
InChIKeyIMDHQZGIVGQQGI-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.80
Rot. Bonds6

About 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol

2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 69339651) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
PubChem CID69339651
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)CCc1ccccc1
InChIInChI=1S/C24H31NO/c1-25(2)19-23-15-9-14-22(18-21-12-7-4-8-13-21)24(23,26)17-16-20-10-5-3-6-11-20/h3-8,10-13,18,23,26H,9,14-17,19H2,1-2H3
InChIKeyIMDHQZGIVGQQGI-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (CID 69339651) is 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is CN(C)CC1CCCC(=Cc2ccccc2)C1(O)CCc1ccccc1.
What is the InChIKey of 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is IMDHQZGIVGQQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-25(2)19-23-15-9-14-22(18-21-12-7-4-8-13-21)24(23,26)17-16-20-10-5-3-6-11-20/h3-8,10-13,18,23,26H,9,14-17,19H2,1-2H3.
What are the key properties of 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 349.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 69339651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).