2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H12Cl2N4 — CID 65363305

IUPAC2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C11H12Cl2N4/c1-14-10(11-15-6-16-17-11)5-7-8(12)3-2-4-9(7)13/h2-4,6,10,14H,5H2,1H3,(H,15,16,17)
InChIKeyFANHYWLKHZHCSW-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.61
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65363305) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65363305
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C11H12Cl2N4/c1-14-10(11-15-6-16-17-11)5-7-8(12)3-2-4-9(7)13/h2-4,6,10,14H,5H2,1H3,(H,15,16,17)
InChIKeyFANHYWLKHZHCSW-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
2-(2,6-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503368
N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65362730
1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 106691674
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365
2-(2,6-dichlorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66270996
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79750862
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362967

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65363305) is 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CNC(Cc1c(Cl)cccc1Cl)c1ncn[nH]1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is FANHYWLKHZHCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-14-10(11-15-6-16-17-11)5-7-8(12)3-2-4-9(7)13/h2-4,6,10,14H,5H2,1H3,(H,15,16,17).
What are the key properties of 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 271.15 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65363305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).