2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one

C16H23NO — CID 62614567

IUPAC2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
SMILESCCN(CC1CCCCC1=O)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)18/h6-7,9,11,14H,3-5,8,10,12H2,1-2H3
InChIKeyYWRYHAPOWITDKI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds4

About 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one

2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one (PubChem CID 62614567) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
PubChem CID62614567
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
SMILESCCN(CC1CCCCC1=O)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)18/h6-7,9,11,14H,3-5,8,10,12H2,1-2H3
InChIKeyYWRYHAPOWITDKI-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
2-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 15472354
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
CID 66469810
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
CID 80567320
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62614565
N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
CID 63495505
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one (CID 62614567) is 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one is CCN(CC1CCCCC1=O)c1cccc(C)c1.
What is the InChIKey of 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one?
The InChIKey is YWRYHAPOWITDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)18/h6-7,9,11,14H,3-5,8,10,12H2,1-2H3.
What are the key properties of 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one?
2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one is sourced from PubChem (CID 62614567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).