1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone

C17H25NO2 — CID 67689565

IUPAC1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone
SMILESCC(=O)c1cc(CN(C)C)ccc1C1(O)CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(19)15-11-14(12-18(2)3)7-8-16(15)17(20)9-5-4-6-10-17/h7-8,11,20H,4-6,9-10,12H2,1-3H3
InChIKeyCWAQFIJQZIBEDU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds4

About 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone

1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone (PubChem CID 67689565) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone
PubChem CID67689565
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone
SMILESCC(=O)c1cc(CN(C)C)ccc1C1(O)CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(19)15-11-14(12-18(2)3)7-8-16(15)17(20)9-5-4-6-10-17/h7-8,11,20H,4-6,9-10,12H2,1-3H3
InChIKeyCWAQFIJQZIBEDU-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone (CID 67689565) is 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone is CC(=O)c1cc(CN(C)C)ccc1C1(O)CCCCC1.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone?
The InChIKey is CWAQFIJQZIBEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(19)15-11-14(12-18(2)3)7-8-16(15)17(20)9-5-4-6-10-17/h7-8,11,20H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone?
1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone is sourced from PubChem (CID 67689565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).