3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one

C12H17NO2 — CID 117295954

IUPAC3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)cc(C)c1C
InChIInChI=1S/C12H17NO2/c1-8-6-10(11(14)4-5-13)7-12(15-3)9(8)2/h6-7H,4-5,13H2,1-3H3
InChIKeyLNKJTHMFDMUSDT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds4

About 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one

3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one (PubChem CID 117295954) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
PubChem CID117295954
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)cc(C)c1C
InChIInChI=1S/C12H17NO2/c1-8-6-10(11(14)4-5-13)7-12(15-3)9(8)2/h6-7H,4-5,13H2,1-3H3
InChIKeyLNKJTHMFDMUSDT-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
CID 162821469
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-amino-2-(3-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117319642

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one (CID 117295954) is 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one is COc1cc(C(=O)CCN)cc(C)c1C.
What is the InChIKey of 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one?
The InChIKey is LNKJTHMFDMUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-10(11(14)4-5-13)7-12(15-3)9(8)2/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one?
3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 117295954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).