N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine

C13H13Cl2N3 — CID 61312514

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NC(C)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H13Cl2N3/c1-8-3-6-13(18-17-8)16-9(2)11-5-4-10(14)7-12(11)15/h3-7,9H,1-2H3,(H,16,18)
InChIKeySFCGFCCMSYRALH-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.26
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine

N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine (PubChem CID 61312514) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
PubChem CID61312514
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NC(C)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H13Cl2N3/c1-8-3-6-13(18-17-8)16-9(2)11-5-4-10(14)7-12(11)15/h3-7,9H,1-2H3,(H,16,18)
InChIKeySFCGFCCMSYRALH-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 63961093
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28544299
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine (CID 61312514) is N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine is Cc1ccc(NC(C)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine?
The InChIKey is SFCGFCCMSYRALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-3-6-13(18-17-8)16-9(2)11-5-4-10(14)7-12(11)15/h3-7,9H,1-2H3,(H,16,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine has a molecular weight of 282.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 61312514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).