1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone

C16H23NO — CID 114468269

IUPAC1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
SMILESCCC1CCCC(Nc2ccc(C(C)=O)cc2)C1
InChIInChI=1S/C16H23NO/c1-3-13-5-4-6-16(11-13)17-15-9-7-14(8-10-15)12(2)18/h7-10,13,16-17H,3-6,11H2,1-2H3
InChIKeyBZMZUUMHXPIBEM-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.27
Rot. Bonds4

About 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone

1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone (PubChem CID 114468269) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
PubChem CID114468269
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
SMILESCCC1CCCC(Nc2ccc(C(C)=O)cc2)C1
InChIInChI=1S/C16H23NO/c1-3-13-5-4-6-16(11-13)17-15-9-7-14(8-10-15)12(2)18/h7-10,13,16-17H,3-6,11H2,1-2H3
InChIKeyBZMZUUMHXPIBEM-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone (CID 114468269) is 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone is CCC1CCCC(Nc2ccc(C(C)=O)cc2)C1.
What is the InChIKey of 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone?
The InChIKey is BZMZUUMHXPIBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-13-5-4-6-16(11-13)17-15-9-7-14(8-10-15)12(2)18/h7-10,13,16-17H,3-6,11H2,1-2H3.
What are the key properties of 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone?
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone is sourced from PubChem (CID 114468269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).