2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one

C13H18ClNO2 — CID 116915335

IUPAC2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C(=O)C(C)N
InChIInChI=1S/C13H18ClNO2/c1-6-7(2)13(17-5)10(8(3)11(6)14)12(16)9(4)15/h9H,15H2,1-5H3
InChIKeyAZMFGOMVKFSGMB-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.80
Rot. Bonds3

About 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one

2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one (PubChem CID 116915335) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
PubChem CID116915335
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C(=O)C(C)N
InChIInChI=1S/C13H18ClNO2/c1-6-7(2)13(17-5)10(8(3)11(6)14)12(16)9(4)15/h9H,15H2,1-5H3
InChIKeyAZMFGOMVKFSGMB-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)butan-1-one
CID 116915663
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide
CID 116827842
2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
CID 84704073
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 84691459
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 84790194
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546
2-amino-2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116830570
(2R)-2-amino-2-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)ethanol
CID 66515838
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one (CID 116915335) is 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one is COc1c(C)c(C)c(Cl)c(C)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one?
The InChIKey is AZMFGOMVKFSGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-6-7(2)13(17-5)10(8(3)11(6)14)12(16)9(4)15/h9H,15H2,1-5H3.
What are the key properties of 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one?
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one has a molecular weight of 255.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 116915335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).