4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one

C17H25NO — CID 115240154

IUPAC4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one
SMILESCc1cc(C)c(CNCC2CCC(=O)CC2)cc1C
InChIInChI=1S/C17H25NO/c1-12-8-14(3)16(9-13(12)2)11-18-10-15-4-6-17(19)7-5-15/h8-9,15,18H,4-7,10-11H2,1-3H3
InChIKeyDPAJFALISFMYIA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.46
Rot. Bonds4

About 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one

4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one (PubChem CID 115240154) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one
PubChem CID115240154
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one
SMILESCc1cc(C)c(CNCC2CCC(=O)CC2)cc1C
InChIInChI=1S/C17H25NO/c1-12-8-14(3)16(9-13(12)2)11-18-10-15-4-6-17(19)7-5-15/h8-9,15,18H,4-7,10-11H2,1-3H3
InChIKeyDPAJFALISFMYIA-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
1-(1,1-dioxothiolan-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 81038578
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 60925508
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
CID 115656460
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214074

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one (CID 115240154) is 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one is Cc1cc(C)c(CNCC2CCC(=O)CC2)cc1C.
What is the InChIKey of 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one?
The InChIKey is DPAJFALISFMYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-14(3)16(9-13(12)2)11-18-10-15-4-6-17(19)7-5-15/h8-9,15,18H,4-7,10-11H2,1-3H3.
What are the key properties of 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one?
4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).