N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline

C14H14Cl3N — CID 134636151

IUPACN,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline
SMILESCN(C)c1ccccc1C1CC=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C14H14Cl3N/c1-18(2)12-6-4-3-5-9(12)10-7-8-11(15)14(17)13(10)16/h3-6,8,10H,7H2,1-2H3
InChIKeySICGSFVFGYEERR-UHFFFAOYSA-N
MW302.63 g/mol
LogP5.05
Rot. Bonds2

About N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline

N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline (PubChem CID 134636151) has the molecular formula C14H14Cl3N and a molecular weight of 302.63 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline
PubChem CID134636151
Molecular FormulaC14H14Cl3N
Molecular Weight302.63 g/mol
Exact Mass301.02
IUPAC NameN,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline
SMILESCN(C)c1ccccc1C1CC=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C14H14Cl3N/c1-18(2)12-6-4-3-5-9(12)10-7-8-11(15)14(17)13(10)16/h3-6,8,10H,7H2,1-2H3
InChIKeySICGSFVFGYEERR-UHFFFAOYSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.63
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline (CID 134636151) is N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline is CN(C)c1ccccc1C1CC=C(Cl)C(Cl)=C1Cl.
What is the InChIKey of N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is SICGSFVFGYEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N/c1-18(2)12-6-4-3-5-9(12)10-7-8-11(15)14(17)13(10)16/h3-6,8,10H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline?
N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 302.63 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 134636151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).