1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one

C14H20ClNO2 — CID 115234808

IUPAC1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CNCC(C)=O
InChIInChI=1S/C14H20ClNO2/c1-8(17)6-16-7-12-11(4)13(15)9(2)10(3)14(12)18-5/h16H,6-7H2,1-5H3
InChIKeySWSDQZKHFFWPQY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.95
Rot. Bonds5

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

1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one (PubChem CID 115234808) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
PubChem CID115234808
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CNCC(C)=O
InChIInChI=1S/C14H20ClNO2/c1-8(17)6-16-7-12-11(4)13(15)9(2)10(3)14(12)18-5/h16H,6-7H2,1-5H3
InChIKeySWSDQZKHFFWPQY-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
2-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]acetaldehyde
CID 115223010
1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one
CID 115234523
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
(E)-6-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-4-methylhex-4-enoic acid
CID 10566972
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
1-chloro-3-(isocyanatomethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 117114761
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 116925315

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one?
The IUPAC name of 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one (CID 115234808) is 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one.
What is the SMILES notation for 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one?
The canonical SMILES for 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one is COc1c(C)c(C)c(Cl)c(C)c1CNCC(C)=O.
What is the InChIKey of 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one?
The InChIKey is SWSDQZKHFFWPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-8(17)6-16-7-12-11(4)13(15)9(2)10(3)14(12)18-5/h16H,6-7H2,1-5H3.
What are the key properties of 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one?
1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one has a molecular weight of 269.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one is sourced from PubChem (CID 115234808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).