1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

C12H14Cl2N4 — CID 107063841

IUPAC1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-15-12(6-9-7-18(2)17-16-9)10-5-8(13)3-4-11(10)14/h3-5,7,12,15H,6H2,1-2H3
InChIKeyNIPBTZIABAFJRC-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107063841) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107063841
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-15-12(6-9-7-18(2)17-16-9)10-5-8(13)3-4-11(10)14/h3-5,7,12,15H,6H2,1-2H3
InChIKeyNIPBTZIABAFJRC-UHFFFAOYSA-N
XLogP2.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107063841) is 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is NIPBTZIABAFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-15-12(6-9-7-18(2)17-16-9)10-5-8(13)3-4-11(10)14/h3-5,7,12,15H,6H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 285.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107063841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).