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

C16H26ClNO2 — CID 18974539

IUPAC2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
SMILESCOc1ccccc1C1(O)CCCCC1CN(C)C.Cl
InChIInChI=1S/C16H25NO2.ClH/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;1H
InChIKeyODKNLZKXMLFLML-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.06
Rot. Bonds4

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

2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride (PubChem CID 18974539) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
PubChem CID18974539
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
SMILESCOc1ccccc1C1(O)CCCCC1CN(C)C.Cl
InChIInChI=1S/C16H25NO2.ClH/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;1H
InChIKeyODKNLZKXMLFLML-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.06
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;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride (CID 18974539) is 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride is COc1ccccc1C1(O)CCCCC1CN(C)C.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is ODKNLZKXMLFLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/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;1H.
What are the key properties of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride?
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.06, 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;hydrochloride is sourced from PubChem (CID 18974539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).