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

C16H25NO2 — CID 18974540

IUPAC2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccccc1C1(O)CCCCC1CN(C)C
InChIInChI=1S/C16H25NO2/c1-17(2)12-13-8-6-7-11-16(13,18)14-9-4-5-10-15(14)19-3/h4-5,9-10,13,18H,6-8,11-12H2,1-3H3
InChIKeyIIFZEGAZAHHBSR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds4

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

2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol (PubChem CID 18974540) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
PubChem CID18974540
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccccc1C1(O)CCCCC1CN(C)C
InChIInChI=1S/C16H25NO2/c1-17(2)12-13-8-6-7-11-16(13,18)14-9-4-5-10-15(14)19-3/h4-5,9-10,13,18H,6-8,11-12H2,1-3H3
InChIKeyIIFZEGAZAHHBSR-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol (CID 18974540) is 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol is COc1ccccc1C1(O)CCCCC1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is IIFZEGAZAHHBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)12-13-8-6-7-11-16(13,18)14-9-4-5-10-15(14)19-3/h4-5,9-10,13,18H,6-8,11-12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 18974540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).