3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline

C19H26N2 — CID 105101002

IUPAC3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
SMILESCNC(Cc1cc(C)ccc1C)c1cccc(N(C)C)c1
InChIInChI=1S/C19H26N2/c1-14-9-10-15(2)17(11-14)13-19(20-3)16-7-6-8-18(12-16)21(4)5/h6-12,19-20H,13H2,1-5H3
InChIKeyAKAVCFHJDHORCF-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.87
Rot. Bonds5

About 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline

3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105101002) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
PubChem CID105101002
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
SMILESCNC(Cc1cc(C)ccc1C)c1cccc(N(C)C)c1
InChIInChI=1S/C19H26N2/c1-14-9-10-15(2)17(11-14)13-19(20-3)16-7-6-8-18(12-16)21(4)5/h6-12,19-20H,13H2,1-5H3
InChIKeyAKAVCFHJDHORCF-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105117377
1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63526772
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907
3-[2-(furan-2-yl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105177359
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
CID 105179949
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline (CID 105101002) is 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline is CNC(Cc1cc(C)ccc1C)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is AKAVCFHJDHORCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-9-10-15(2)17(11-14)13-19(20-3)16-7-6-8-18(12-16)21(4)5/h6-12,19-20H,13H2,1-5H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 282.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).