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

C16H23NO — CID 115240249

IUPAC4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
SMILESCc1ccccc1CCNCC1CCC(=O)CC1
InChIInChI=1S/C16H23NO/c1-13-4-2-3-5-15(13)10-11-17-12-14-6-8-16(18)9-7-14/h2-5,14,17H,6-12H2,1H3
InChIKeyPUEDHBGTFBSSPW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.89
Rot. Bonds5

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

4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one (PubChem CID 115240249) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
PubChem CID115240249
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
SMILESCc1ccccc1CCNCC1CCC(=O)CC1
InChIInChI=1S/C16H23NO/c1-13-4-2-3-5-15(13)10-11-17-12-14-6-8-16(18)9-7-14/h2-5,14,17H,6-12H2,1H3
InChIKeyPUEDHBGTFBSSPW-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 119688191
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
CID 62365696
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 62770210
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one
CID 115240154
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one (CID 115240249) is 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one is Cc1ccccc1CCNCC1CCC(=O)CC1.
What is the InChIKey of 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one?
The InChIKey is PUEDHBGTFBSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-4-2-3-5-15(13)10-11-17-12-14-6-8-16(18)9-7-14/h2-5,14,17H,6-12H2,1H3.
What are the key properties of 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one?
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).