2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone

C17H24FNO — CID 106883162

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2(CN)CCCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-12-8-13(2)16(14(18)9-12)15(20)10-17(11-19)6-4-3-5-7-17/h8-9H,3-7,10-11,19H2,1-2H3
InChIKeyHZGITELCVRSSGN-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.92
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone (PubChem CID 106883162) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
PubChem CID106883162
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2(CN)CCCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-12-8-13(2)16(14(18)9-12)15(20)10-17(11-19)6-4-3-5-7-17/h8-9H,3-7,10-11,19H2,1-2H3
InChIKeyHZGITELCVRSSGN-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone (CID 106883162) is 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CC2(CN)CCCCC2)c(F)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The InChIKey is HZGITELCVRSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-8-13(2)16(14(18)9-12)15(20)10-17(11-19)6-4-3-5-7-17/h8-9H,3-7,10-11,19H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone has a molecular weight of 277.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106883162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).