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

C22H29NO2 — CID 3056579

IUPAC2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CN(C)Cc2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3
InChIKeyBDLHYNRDCFWMAA-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.20
Rot. Bonds6

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

2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 3056579) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID3056579
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CN(C)Cc2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3
InChIKeyBDLHYNRDCFWMAA-UHFFFAOYSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 3056579) is 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)CCCCC2CN(C)Cc2ccccc2)c1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is BDLHYNRDCFWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 3056579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).