2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine

C15H24ClNO — CID 115259671

IUPAC2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C15H24ClNO/c1-7-17(5)9-8-13-12(4)14(16)10(2)11(3)15(13)18-6/h7-9H2,1-6H3
InChIKeyVNZHFRYGWODOEL-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.77
Rot. Bonds5

About 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine

2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine (PubChem CID 115259671) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine
PubChem CID115259671
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C15H24ClNO/c1-7-17(5)9-8-13-12(4)14(16)10(2)11(3)15(13)18-6/h7-9H2,1-6H3
InChIKeyVNZHFRYGWODOEL-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propanenitrile
CID 116927395
3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 170866556
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 116925315
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
1-chloro-3-(isocyanatomethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 117114761
N'-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 115195272
2-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]acetaldehyde
CID 115223010
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
N-ethyl-N-methyl-2-(2,4,6-trimethoxyphenyl)ethanamine
CID 115259613
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine (CID 115259671) is 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine is CCN(C)CCc1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine?
The InChIKey is VNZHFRYGWODOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-7-17(5)9-8-13-12(4)14(16)10(2)11(3)15(13)18-6/h7-9H2,1-6H3.
What are the key properties of 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine?
2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 115259671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).