2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one

C12H17NO2 — CID 116594205

IUPAC2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C12H17NO2/c1-8-4-5-9(2)10(6-8)12(14)11(13)7-15-3/h4-6,11H,7,13H2,1-3H3
InChIKeySHCJBROJWNXMMD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.46
Rot. Bonds4

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

2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one (PubChem CID 116594205) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
PubChem CID116594205
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C12H17NO2/c1-8-4-5-9(2)10(6-8)12(14)11(13)7-15-3/h4-6,11H,7,13H2,1-3H3
InChIKeySHCJBROJWNXMMD-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
methyl 2-chloro-3-(2,5-dimethylphenyl)-3-oxopropanoate
CID 82477379
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
1-methoxypropan-2-yl 2,5-dimethylbenzenecarboperoxoate
CID 173267438
1-(2,5-dimethylphenyl)-2-(3-methoxypropylsulfonyl)propan-1-one
CID 64636016
1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
CID 103178860
2-(aminomethyl)-1-(2,5-dimethylphenyl)butan-1-one
CID 116575283
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116594142
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one (CID 116594205) is 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one?
The InChIKey is SHCJBROJWNXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-5-9(2)10(6-8)12(14)11(13)7-15-3/h4-6,11H,7,13H2,1-3H3.
What are the key properties of 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one?
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 116594205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).