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

C11H12Cl2N4 — CID 112735844

IUPAC2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(C(N)Cc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H12Cl2N4/c1-17-6-11(15-16-17)10(14)5-7-4-8(12)2-3-9(7)13/h2-4,6,10H,5,14H2,1H3
InChIKeyHSNNCLMNGUFGJO-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.36
Rot. Bonds3

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

2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine (PubChem CID 112735844) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine
PubChem CID112735844
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(C(N)Cc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H12Cl2N4/c1-17-6-11(15-16-17)10(14)5-7-4-8(12)2-3-9(7)13/h2-4,6,10H,5,14H2,1H3
InChIKeyHSNNCLMNGUFGJO-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine
CID 112735901
2-(2,5-dichlorophenyl)-1-pyrazin-2-ylethanamine
CID 65321517
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine (CID 112735844) is 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine is Cn1cc(C(N)Cc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is HSNNCLMNGUFGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-17-6-11(15-16-17)10(14)5-7-4-8(12)2-3-9(7)13/h2-4,6,10H,5,14H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine?
2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 271.15 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 112735844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).