1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone

C16H22FNO — CID 60681563

IUPAC1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
SMILESCC1CCC(N(C)CC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO/c1-12-6-8-15(9-7-12)18(2)11-16(19)13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3
InChIKeyQWLDOPHPGKHTPM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone

1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone (PubChem CID 60681563) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
PubChem CID60681563
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
SMILESCC1CCC(N(C)CC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO/c1-12-6-8-15(9-7-12)18(2)11-16(19)13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3
InChIKeyQWLDOPHPGKHTPM-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone (CID 60681563) is 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone is CC1CCC(N(C)CC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
The InChIKey is QWLDOPHPGKHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-6-8-15(9-7-12)18(2)11-16(19)13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone has a molecular weight of 263.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 60681563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).