1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone

C16H23NO — CID 55005375

IUPAC1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)C1CCCCC1C
InChIInChI=1S/C16H23NO/c1-12-8-4-6-10-15(12)17(3)16-11-7-5-9-14(16)13(2)18/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3
InChIKeyRLANZSGVPFBFJW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.90
Rot. Bonds3

About 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone

1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone (PubChem CID 55005375) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
PubChem CID55005375
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)C1CCCCC1C
InChIInChI=1S/C16H23NO/c1-12-8-4-6-10-15(12)17(3)16-11-7-5-9-14(16)13(2)18/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3
InChIKeyRLANZSGVPFBFJW-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone (CID 55005375) is 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone is CC(=O)c1ccccc1N(C)C1CCCCC1C.
What is the InChIKey of 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
The InChIKey is RLANZSGVPFBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-8-4-6-10-15(12)17(3)16-11-7-5-9-14(16)13(2)18/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3.
What are the key properties of 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone is sourced from PubChem (CID 55005375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).