5-chloro-N,2,4-trimethylaniline;ethane

C13H24ClN — CID 145268863

IUPAC5-chloro-N,2,4-trimethylaniline;ethane
SMILESCC.CC.CNc1cc(Cl)c(C)cc1C
InChIInChI=1S/C9H12ClN.2C2H6/c1-6-4-7(2)9(11-3)5-8(6)10;2*1-2/h4-5,11H,1-3H3;2*1-2H3
InChIKeyAWYGAGLQCYHWFB-UHFFFAOYSA-N
MW229.79 g/mol
LogP5.05
Rot. Bonds1

About 5-chloro-N,2,4-trimethylaniline;ethane

5-chloro-N,2,4-trimethylaniline;ethane (PubChem CID 145268863) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 5-chloro-N,2,4-trimethylaniline;ethane.

Molecular Properties

Compound Name5-chloro-N,2,4-trimethylaniline;ethane
PubChem CID145268863
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name5-chloro-N,2,4-trimethylaniline;ethane
SMILESCC.CC.CNc1cc(Cl)c(C)cc1C
InChIInChI=1S/C9H12ClN.2C2H6/c1-6-4-7(2)9(11-3)5-8(6)10;2*1-2/h4-5,11H,1-3H3;2*1-2H3
InChIKeyAWYGAGLQCYHWFB-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.79
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N,2,5-trimethylaniline
CID 82550905
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
5-chloro-2-fluoro-N,4-dimethylaniline
CID 131225434
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
2,4-dimethyl-5-(methylamino)phenol
CID 22942479
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160
N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 104728161
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 126678425
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2,4-trimethylaniline;ethane?
The IUPAC name of 5-chloro-N,2,4-trimethylaniline;ethane (CID 145268863) is 5-chloro-N,2,4-trimethylaniline;ethane.
What is the SMILES notation for 5-chloro-N,2,4-trimethylaniline;ethane?
The canonical SMILES for 5-chloro-N,2,4-trimethylaniline;ethane is CC.CC.CNc1cc(Cl)c(C)cc1C.
What is the InChIKey of 5-chloro-N,2,4-trimethylaniline;ethane?
The InChIKey is AWYGAGLQCYHWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.2C2H6/c1-6-4-7(2)9(11-3)5-8(6)10;2*1-2/h4-5,11H,1-3H3;2*1-2H3.
What are the key properties of 5-chloro-N,2,4-trimethylaniline;ethane?
5-chloro-N,2,4-trimethylaniline;ethane has a molecular weight of 229.79 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2,4-trimethylaniline;ethane is sourced from PubChem (CID 145268863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).