1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C20H27N — CID 115828652

IUPAC1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1cc(C)cc(C)c1
InChIInChI=1S/C20H27N/c1-13-7-14(2)11-18(10-13)20(21-6)12-19-16(4)8-15(3)9-17(19)5/h7-11,20-21H,12H2,1-6H3
InChIKeyURJTXMAUOGJKFO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.73
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115828652) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115828652
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1cc(C)cc(C)c1
InChIInChI=1S/C20H27N/c1-13-7-14(2)11-18(10-13)20(21-6)12-19-16(4)8-15(3)9-17(19)5/h7-11,20-21H,12H2,1-6H3
InChIKeyURJTXMAUOGJKFO-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
N-methyl-1-(2-methyl-4-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106755047
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63416549
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 54936986
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 115828652) is 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is URJTXMAUOGJKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-13-7-14(2)11-18(10-13)20(21-6)12-19-16(4)8-15(3)9-17(19)5/h7-11,20-21H,12H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115828652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).