4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one

C18H27NO — CID 62613388

IUPAC4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)Cc2ccccc2C)C1
InChIInChI=1S/C18H27NO/c1-4-15-9-10-18(20)17(11-15)13-19(3)12-16-8-6-5-7-14(16)2/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeySFTCOOCMCIDCPS-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.82
Rot. Bonds5

About 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one

4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 62613388) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID62613388
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)Cc2ccccc2C)C1
InChIInChI=1S/C18H27NO/c1-4-15-9-10-18(20)17(11-15)13-19(3)12-16-8-6-5-7-14(16)2/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeySFTCOOCMCIDCPS-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613387
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704331
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 114430836
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one
CID 63484465
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
CID 63483006
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one (CID 62613388) is 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)Cc2ccccc2C)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is SFTCOOCMCIDCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-15-9-10-18(20)17(11-15)13-19(3)12-16-8-6-5-7-14(16)2/h5-8,15,17H,4,9-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 273.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).