2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

C23H31NO2 — CID 22221697

IUPAC2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)C(Cc3ccccc3)CCCC2CN(C)C)c1
InChIInChI=1S/C23H31NO2/c1-24(2)17-21-13-7-11-19(15-18-9-5-4-6-10-18)23(21,25)20-12-8-14-22(16-20)26-3/h4-6,8-10,12,14,16,19,21,25H,7,11,13,15,17H2,1-3H3
InChIKeyYNLTUVKINPTVCG-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.10
Rot. Bonds6

About 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 22221697) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID22221697
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)C(Cc3ccccc3)CCCC2CN(C)C)c1
InChIInChI=1S/C23H31NO2/c1-24(2)17-21-13-7-11-19(15-18-9-5-4-6-10-18)23(21,25)20-12-8-14-22(16-20)26-3/h4-6,8-10,12,14,16,19,21,25H,7,11,13,15,17H2,1-3H3
InChIKeyYNLTUVKINPTVCG-UHFFFAOYSA-N
XLogP4.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 22221697) is 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)C(Cc3ccccc3)CCCC2CN(C)C)c1.
What is the InChIKey of 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is YNLTUVKINPTVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-24(2)17-21-13-7-11-19(15-18-9-5-4-6-10-18)23(21,25)20-12-8-14-22(16-20)26-3/h4-6,8-10,12,14,16,19,21,25H,7,11,13,15,17H2,1-3H3.
What are the key properties of 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 353.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 22221697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).