3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one

C14H21NO2 — CID 103967332

IUPAC3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-4-5-13(11(2)8-10)14(16)9-12(15)6-7-17-3/h4-5,8,12H,6-7,9,15H2,1-3H3
InChIKeyONPKTUXLTLQPQT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds6

About 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one

3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one (PubChem CID 103967332) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one
PubChem CID103967332
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-4-5-13(11(2)8-10)14(16)9-12(15)6-7-17-3/h4-5,8,12H,6-7,9,15H2,1-3H3
InChIKeyONPKTUXLTLQPQT-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
CID 103967319
3-amino-1-(2-bromophenyl)-5-methoxypentan-1-one
CID 103967309
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfanyl)ethanone
CID 63857404
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
CID 55262245
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
N-(4-bromo-1-methoxybutan-2-yl)-2,4-dimethylbenzamide
CID 114151279
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one?
The IUPAC name of 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one (CID 103967332) is 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one.
What is the SMILES notation for 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one?
The canonical SMILES for 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one is COCCC(N)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one?
The InChIKey is ONPKTUXLTLQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-13(11(2)8-10)14(16)9-12(15)6-7-17-3/h4-5,8,12H,6-7,9,15H2,1-3H3.
What are the key properties of 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one?
3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one is sourced from PubChem (CID 103967332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).