2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine

C18H22ClNO — CID 63500567

IUPAC2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(COc1ccc(C)cc1Cl)c1cc(C)ccc1C
InChIInChI=1S/C18H22ClNO/c1-12-5-7-14(3)15(9-12)17(20-4)11-21-18-8-6-13(2)10-16(18)19/h5-10,17,20H,11H2,1-4H3
InChIKeyRJDWWZHASNLPCQ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.60
Rot. Bonds5

About 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine

2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 63500567) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID63500567
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(COc1ccc(C)cc1Cl)c1cc(C)ccc1C
InChIInChI=1S/C18H22ClNO/c1-12-5-7-14(3)15(9-12)17(20-4)11-21-18-8-6-13(2)10-16(18)19/h5-10,17,20H,11H2,1-4H3
InChIKeyRJDWWZHASNLPCQ-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

2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62670922
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
2-(4-chloro-3-methylphenoxy)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 63498913
2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63499644
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
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)-1-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine (CID 63500567) is 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine is CNC(COc1ccc(C)cc1Cl)c1cc(C)ccc1C.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is RJDWWZHASNLPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12-5-7-14(3)15(9-12)17(20-4)11-21-18-8-6-13(2)10-16(18)19/h5-10,17,20H,11H2,1-4H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine?
2-(2-chloro-4-methylphenoxy)-1-(2,5-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-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63500567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).