2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one

C16H22FNO — CID 62612853

IUPAC2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO/c1-12-6-7-16(19)14(8-12)11-18(2)10-13-4-3-5-15(17)9-13/h3-5,9,12,14H,6-8,10-11H2,1-2H3
InChIKeyQKLZTNVMPSCZSP-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.26
Rot. Bonds4

About 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one

2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one (PubChem CID 62612853) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
PubChem CID62612853
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO/c1-12-6-7-16(19)14(8-12)11-18(2)10-13-4-3-5-15(17)9-13/h3-5,9,12,14H,6-8,10-11H2,1-2H3
InChIKeyQKLZTNVMPSCZSP-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one (CID 62612853) is 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one is CC1CCC(=O)C(CN(C)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one?
The InChIKey is QKLZTNVMPSCZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-6-7-16(19)14(8-12)11-18(2)10-13-4-3-5-15(17)9-13/h3-5,9,12,14H,6-8,10-11H2,1-2H3.
What are the key properties of 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one?
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 62612853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).