4-chloro-N,2,5-trimethylaniline

C9H12ClN — CID 82550905

IUPAC4-chloro-N,2,5-trimethylaniline
SMILESCNc1cc(C)c(Cl)cc1C
InChIInChI=1S/C9H12ClN/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5,11H,1-3H3
InChIKeyDGXFJDUIIRNDOA-UHFFFAOYSA-N
MW169.65 g/mol
LogP3.00
Rot. Bonds1

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

4-chloro-N,2,5-trimethylaniline (PubChem CID 82550905) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 4-chloro-N,2,5-trimethylaniline.

Molecular Properties

Compound Name4-chloro-N,2,5-trimethylaniline
PubChem CID82550905
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name4-chloro-N,2,5-trimethylaniline
SMILESCNc1cc(C)c(Cl)cc1C
InChIInChI=1S/C9H12ClN/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5,11H,1-3H3
InChIKeyDGXFJDUIIRNDOA-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N,2,4-trimethylaniline;ethane
CID 145268863
5-chloro-2-fluoro-N,4-dimethylaniline
CID 131225434
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 126678425
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
2-chloro-N,4-dimethyl-5-nitroaniline
CID 118991165
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2,5-trimethylaniline?
The IUPAC name of 4-chloro-N,2,5-trimethylaniline (CID 82550905) is 4-chloro-N,2,5-trimethylaniline.
What is the SMILES notation for 4-chloro-N,2,5-trimethylaniline?
The canonical SMILES for 4-chloro-N,2,5-trimethylaniline is CNc1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N,2,5-trimethylaniline?
The InChIKey is DGXFJDUIIRNDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5,11H,1-3H3.
What are the key properties of 4-chloro-N,2,5-trimethylaniline?
4-chloro-N,2,5-trimethylaniline has a molecular weight of 169.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,2,5-trimethylaniline is sourced from PubChem (CID 82550905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).