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

C16H25NO2 — CID 5523

IUPAC2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CN(C)C)c1
InChIInChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
InChIKeyTVYLLZQTGLZFBW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds4

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

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 5523) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID5523
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CN(C)C)c1
InChIInChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
InChIKeyTVYLLZQTGLZFBW-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-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 5523) is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)CCCCC2CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is TVYLLZQTGLZFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(3-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-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 5523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).