2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine

C18H22ClNO — CID 63498913

IUPAC2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)c(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12-5-7-16(13(2)9-12)18(20-4)11-21-15-6-8-17(19)14(3)10-15/h5-10,18,20H,11H2,1-4H3
InChIKeyNDTOQZHEUDMQSF-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.60
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine

2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine (PubChem CID 63498913) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine
PubChem CID63498913
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)c(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12-5-7-16(13(2)9-12)18(20-4)11-21-15-6-8-17(19)14(3)10-15/h5-10,18,20H,11H2,1-4H3
InChIKeyNDTOQZHEUDMQSF-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-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62670922
2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63500567
2-(3-ethoxyphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62335577
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
CID 62040001
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine (CID 63498913) is 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine is CNC(COc1ccc(Cl)c(C)c1)c1ccc(C)cc1C.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is NDTOQZHEUDMQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12-5-7-16(13(2)9-12)18(20-4)11-21-15-6-8-17(19)14(3)10-15/h5-10,18,20H,11H2,1-4H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine?
2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine 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-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63498913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).