2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one

C20H23NO — CID 141482658

IUPAC2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one
SMILESCc1ccc(Nc2ccccc2CC2CCCCC2=O)cc1
InChIInChI=1S/C20H23NO/c1-15-10-12-18(13-11-15)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)22/h2,4,6,8,10-13,17,21H,3,5,7,9,14H2,1H3
InChIKeyBHNINHPVCUJTOO-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.04
Rot. Bonds4

About 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one

2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one (PubChem CID 141482658) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one
PubChem CID141482658
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one
SMILESCc1ccc(Nc2ccccc2CC2CCCCC2=O)cc1
InChIInChI=1S/C20H23NO/c1-15-10-12-18(13-11-15)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)22/h2,4,6,8,10-13,17,21H,3,5,7,9,14H2,1H3
InChIKeyBHNINHPVCUJTOO-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one (CID 141482658) is 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one is Cc1ccc(Nc2ccccc2CC2CCCCC2=O)cc1.
What is the InChIKey of 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one?
The InChIKey is BHNINHPVCUJTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15-10-12-18(13-11-15)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)22/h2,4,6,8,10-13,17,21H,3,5,7,9,14H2,1H3.
What are the key properties of 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one?
2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one has a molecular weight of 293.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one is sourced from PubChem (CID 141482658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).