2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol

C25H35NO — CID 10292300

IUPAC2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
SMILESCc1ccc(C)c(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)c1
InChIInChI=1S/C25H35NO/c1-19-10-11-20(2)24(16-19)25(27)15-14-22(17-23(25)18-26(3)4)13-12-21-8-6-5-7-9-21/h5-11,16,22-23,27H,12-15,17-18H2,1-4H3
InChIKeySWGSOXNZTWAJNN-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.10
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 10292300) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
PubChem CID10292300
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
SMILESCc1ccc(C)c(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)c1
InChIInChI=1S/C25H35NO/c1-19-10-11-20(2)24(16-19)25(27)15-14-22(17-23(25)18-26(3)4)13-12-21-8-6-5-7-9-21/h5-11,16,22-23,27H,12-15,17-18H2,1-4H3
InChIKeySWGSOXNZTWAJNN-UHFFFAOYSA-N
XLogP5.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol (CID 10292300) is 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol is Cc1ccc(C)c(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is SWGSOXNZTWAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-19-10-11-20(2)24(16-19)25(27)15-14-22(17-23(25)18-26(3)4)13-12-21-8-6-5-7-9-21/h5-11,16,22-23,27H,12-15,17-18H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 365.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 10292300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).