2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

C18H22ClNO — CID 63499644

IUPAC2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(COc1ccccc1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12-9-13(2)18(14(3)10-12)16(20-4)11-21-17-8-6-5-7-15(17)19/h5-10,16,20H,11H2,1-4H3
InChIKeyYJMXWORKLFDPDI-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.60
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 63499644) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID63499644
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(COc1ccccc1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12-9-13(2)18(14(3)10-12)16(20-4)11-21-17-8-6-5-7-15(17)19/h5-10,16,20H,11H2,1-4H3
InChIKeyYJMXWORKLFDPDI-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529
2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62670922
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107312240
2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63500567
N-methyl-1-(4-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63474209
(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
CID 142490833
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64659824
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 63498913
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 63499644) is 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is CNC(COc1ccccc1Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is YJMXWORKLFDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12-9-13(2)18(14(3)10-12)16(20-4)11-21-17-8-6-5-7-15(17)19/h5-10,16,20H,11H2,1-4H3.
What are the key properties of 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 63499644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).