2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride

C11H16ClNO4 — CID 22281599

IUPAC2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
SMILESCOc1cc(C(=O)CN)cc(OC)c1OC.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3;/h4-5H,6,12H2,1-3H3;1H
InChIKeyPMZQIFNVSBXCRL-UHFFFAOYSA-N
MW261.70 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride

2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride (PubChem CID 22281599) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
PubChem CID22281599
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
SMILESCOc1cc(C(=O)CN)cc(OC)c1OC.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3;/h4-5H,6,12H2,1-3H3;1H
InChIKeyPMZQIFNVSBXCRL-UHFFFAOYSA-N
XLogP1.28
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
2-amino-1-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanone
CID 117427475
2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
CID 117359258
5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile
CID 117294522
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833879
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride (CID 22281599) is 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride is COc1cc(C(=O)CN)cc(OC)c1OC.Cl.
What is the InChIKey of 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride?
The InChIKey is PMZQIFNVSBXCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4.ClH/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3;/h4-5H,6,12H2,1-3H3;1H.
What are the key properties of 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride?
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride has a molecular weight of 261.70 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 22281599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).