cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol

C16H25NO2 — CID 58954914

IUPACcis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc([C@]2(CN(C)C)CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H25NO2/c1-17(2)12-16(11-5-4-6-15(16)18)13-7-9-14(19-3)10-8-13/h7-10,15,18H,4-6,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyQAOJOQYXSHDHLX-JKSUJKDBSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds4

About cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol

cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol (PubChem CID 58954914) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol
PubChem CID58954914
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namecis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc([C@]2(CN(C)C)CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H25NO2/c1-17(2)12-16(11-5-4-6-15(16)18)13-7-9-14(19-3)10-8-13/h7-10,15,18H,4-6,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyQAOJOQYXSHDHLX-JKSUJKDBSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol (CID 58954914) is cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol is COc1ccc([C@]2(CN(C)C)CCCC[C@@H]2O)cc1.
What is the InChIKey of cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is QAOJOQYXSHDHLX-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)12-16(11-5-4-6-15(16)18)13-7-9-14(19-3)10-8-13/h7-10,15,18H,4-6,11-12H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol?
cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 58954914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).