2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine

C17H20ClNO — CID 62670922

IUPAC2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
SMILESCNC(COc1ccc(C)cc1Cl)c1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-12-8-9-17(15(18)10-12)20-11-16(19-3)14-7-5-4-6-13(14)2/h4-10,16,19H,11H2,1-3H3
InChIKeyMFFBTLIZGWVXAV-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine

2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine (PubChem CID 62670922) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
PubChem CID62670922
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
SMILESCNC(COc1ccc(C)cc1Cl)c1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-12-8-9-17(15(18)10-12)20-11-16(19-3)14-7-5-4-6-13(14)2/h4-10,16,19H,11H2,1-3H3
InChIKeyMFFBTLIZGWVXAV-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63500567
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63499644
N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64855007
2-(3-ethoxyphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62335577
2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 63498913
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine (CID 62670922) is 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine is CNC(COc1ccc(C)cc1Cl)c1ccccc1C.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine?
The InChIKey is MFFBTLIZGWVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-8-9-17(15(18)10-12)20-11-16(19-3)14-7-5-4-6-13(14)2/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine?
2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 62670922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).