2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one

C17H25NO2 — CID 64736984

IUPAC2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
SMILESCOc1ccccc1N(C)CC1C(=O)CC(C)CC1C
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)14(16(19)10-12)11-18(3)15-7-5-6-8-17(15)20-4/h5-8,12-14H,9-11H2,1-4H3
InChIKeyOSRRMRGWZJQRGV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds4

About 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one

2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64736984) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64736984
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
SMILESCOc1ccccc1N(C)CC1C(=O)CC(C)CC1C
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)14(16(19)10-12)11-18(3)15-7-5-6-8-17(15)20-4/h5-8,12-14H,9-11H2,1-4H3
InChIKeyOSRRMRGWZJQRGV-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one (CID 64736984) is 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one is COc1ccccc1N(C)CC1C(=O)CC(C)CC1C.
What is the InChIKey of 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is OSRRMRGWZJQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-9-13(2)14(16(19)10-12)11-18(3)15-7-5-6-8-17(15)20-4/h5-8,12-14H,9-11H2,1-4H3.
What are the key properties of 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64736984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).