N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine

C13H21N — CID 116914689

IUPACN,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(C)N(C)C)c(C)c1C
InChIInChI=1S/C13H21N/c1-9-7-8-13(11(3)10(9)2)12(4)14(5)6/h7-8,12H,1-6H3
InChIKeyZCHZQCJHCVRLNA-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.23
Rot. Bonds2

About N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine

N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116914689) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116914689
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(C)N(C)C)c(C)c1C
InChIInChI=1S/C13H21N/c1-9-7-8-13(11(3)10(9)2)12(4)14(5)6/h7-8,12H,1-6H3
InChIKeyZCHZQCJHCVRLNA-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
1-hydrazinyl-N,N-dimethyl-1-(2,3,4-trimethylphenyl)methanamine
CID 116914969
ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine
CID 143623031
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine
CID 116914675
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116912026
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine (CID 116914689) is N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine is Cc1ccc(C(C)N(C)C)c(C)c1C.
What is the InChIKey of N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is ZCHZQCJHCVRLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-7-8-13(11(3)10(9)2)12(4)14(5)6/h7-8,12H,1-6H3.
What are the key properties of N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine?
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116914689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).