2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one

C14H21NO2 — CID 61427109

IUPAC2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCOCCN(C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-11-5-7-13(8-6-11)14(16)12(2)15(3)9-10-17-4/h5-8,12H,9-10H2,1-4H3
InChIKeyJKLMPKZOUCNDJV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one

2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 61427109) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID61427109
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCOCCN(C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-11-5-7-13(8-6-11)14(16)12(2)15(3)9-10-17-4/h5-8,12H,9-10H2,1-4H3
InChIKeyJKLMPKZOUCNDJV-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 114950447

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one (CID 61427109) is 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one is COCCN(C)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is JKLMPKZOUCNDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-7-13(8-6-11)14(16)12(2)15(3)9-10-17-4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 61427109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).