3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one

C13H19NO2 — CID 103967319

IUPAC3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-11(6-4-10)13(15)9-12(14)7-8-16-2/h3-6,12H,7-9,14H2,1-2H3
InChIKeyCLRYCNFYWKQZNM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds6

About 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one

3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one (PubChem CID 103967319) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
PubChem CID103967319
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-11(6-4-10)13(15)9-12(14)7-8-16-2/h3-6,12H,7-9,14H2,1-2H3
InChIKeyCLRYCNFYWKQZNM-UHFFFAOYSA-N
XLogP1.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one
CID 103967332
3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one
CID 103967344
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
CID 116614561
3-amino-1-(2-bromophenyl)-5-methoxypentan-1-one
CID 103967309
3-amino-1-(4-bromophenyl)-4-methoxybutan-1-one
CID 112629826
3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-one
CID 112629850
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857
2-(3-methoxypropylsulfanyl)-1-(4-methylphenyl)ethanone
CID 63857930
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959
[3-(4-methylphenyl)-3-oxopropyl] 4-methylbenzoate
CID 157120542
2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one?
The IUPAC name of 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one (CID 103967319) is 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one?
The canonical SMILES for 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one is COCCC(N)CC(=O)c1ccc(C)cc1.
What is the InChIKey of 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one?
The InChIKey is CLRYCNFYWKQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-5-11(6-4-10)13(15)9-12(14)7-8-16-2/h3-6,12H,7-9,14H2,1-2H3.
What are the key properties of 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one?
3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one is sourced from PubChem (CID 103967319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).