2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

C18H21Cl2N — CID 107312240

IUPAC2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21Cl2N/c1-11-8-12(2)17(13(3)9-11)16(21-4)10-14-6-5-7-15(19)18(14)20/h5-9,16,21H,10H2,1-4H3
InChIKeyBMFWUBPCETYZRS-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.42
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 107312240) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID107312240
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21Cl2N/c1-11-8-12(2)17(13(3)9-11)16(21-4)10-14-6-5-7-15(19)18(14)20/h5-9,16,21H,10H2,1-4H3
InChIKeyBMFWUBPCETYZRS-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107309145
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321
2-(2,3-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311906
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63499644
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 107312240) is 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1cccc(Cl)c1Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is BMFWUBPCETYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-11-8-12(2)17(13(3)9-11)16(21-4)10-14-6-5-7-15(19)18(14)20/h5-9,16,21H,10H2,1-4H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 107312240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).