N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine

C11H10Cl2N4 — CID 91776337

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine
SMILESClc1ccc(CCNc2ncncn2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4/c12-9-2-1-8(10(13)5-9)3-4-15-11-16-6-14-7-17-11/h1-2,5-7H,3-4H2,(H,14,15,16,17)
InChIKeyYZDPOVUWJXBNFB-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine

N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 91776337) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.13 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine
PubChem CID91776337
Molecular FormulaC11H10Cl2N4
Molecular Weight269.13 g/mol
Exact Mass268.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine
SMILESClc1ccc(CCNc2ncncn2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4/c12-9-2-1-8(10(13)5-9)3-4-15-11-16-6-14-7-17-11/h1-2,5-7H,3-4H2,(H,14,15,16,17)
InChIKeyYZDPOVUWJXBNFB-UHFFFAOYSA-N
XLogP2.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646932
2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56647700
N2-(2,4-dichlorobenzyl)-N4-(5-(diethylamino)pentan-2-yl)-N6-methyl-1,3,5-triazine-2,4,6-triamine
CID 44430317
4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647702
2-N,4-N-bis[2-(2,4-dichlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56647768
N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 869186
2-(2,4-Dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 23634859
2-N-[4-(2-chloro-4-fluorophenyl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 141901272
2-N-[4-(4-chloro-2-fluorophenyl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 141901300
6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163801
6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 166316750
2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 1080716

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine (CID 91776337) is N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine is Clc1ccc(CCNc2ncncn2)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is YZDPOVUWJXBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c12-9-2-1-8(10(13)5-9)3-4-15-11-16-6-14-7-17-11/h1-2,5-7H,3-4H2,(H,14,15,16,17).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 269.13 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 91776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).