1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone

C17H25NO2 — CID 63713632

IUPAC1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CC2CCCOC2)cc1C
InChIInChI=1S/C17H25NO2/c1-13-6-7-16(9-14(13)2)17(19)11-18(3)10-15-5-4-8-20-12-15/h6-7,9,15H,4-5,8,10-12H2,1-3H3
InChIKeyCFQGCCDCCAQOND-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.84
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone

1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone (PubChem CID 63713632) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
PubChem CID63713632
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CC2CCCOC2)cc1C
InChIInChI=1S/C17H25NO2/c1-13-6-7-16(9-14(13)2)17(19)11-18(3)10-15-5-4-8-20-12-15/h6-7,9,15H,4-5,8,10-12H2,1-3H3
InChIKeyCFQGCCDCCAQOND-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713465
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
1-(4-bromophenyl)-3-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63712506
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712606
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63727269
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63726652
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone (CID 63713632) is 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone is Cc1ccc(C(=O)CN(C)CC2CCCOC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
The InChIKey is CFQGCCDCCAQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-7-16(9-14(13)2)17(19)11-18(3)10-15-5-4-8-20-12-15/h6-7,9,15H,4-5,8,10-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 63713632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).