4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline

C19H18Cl2N4 — CID 101468768

IUPAC4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc(-c3nc(Cl)nc(Cl)n3)cc2)cc1
InChIInChI=1S/C19H18Cl2N4/c1-3-25(4-2)16-11-9-14(10-12-16)13-5-7-15(8-6-13)17-22-18(20)24-19(21)23-17/h5-12H,3-4H2,1-2H3
InChIKeyCGNLTXJFNBDUEN-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.36
Rot. Bonds5

About 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline

4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline (PubChem CID 101468768) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline
PubChem CID101468768
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc(-c3nc(Cl)nc(Cl)n3)cc2)cc1
InChIInChI=1S/C19H18Cl2N4/c1-3-25(4-2)16-11-9-14(10-12-16)13-5-7-15(8-6-13)17-22-18(20)24-19(21)23-17/h5-12H,3-4H2,1-2H3
InChIKeyCGNLTXJFNBDUEN-UHFFFAOYSA-N
XLogP5.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N,N-diethylaniline
CID 54847456
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline
CID 46220133
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
N,N-diethyl-4-quinazolin-2-ylaniline
CID 22356712
4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline
CID 18004124
N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline
CID 172689218
2-[bis[4-[4-(diethylamino)phenyl]phenyl]methylidene]propanedinitrile
CID 132937104
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline?
The IUPAC name of 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline (CID 101468768) is 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2ccc(-c3nc(Cl)nc(Cl)n3)cc2)cc1.
What is the InChIKey of 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline?
The InChIKey is CGNLTXJFNBDUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c1-3-25(4-2)16-11-9-14(10-12-16)13-5-7-15(8-6-13)17-22-18(20)24-19(21)23-17/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline?
4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline has a molecular weight of 373.29 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline is sourced from PubChem (CID 101468768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).