2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine

C10H10Cl2N4 — CID 107308912

IUPAC2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1cn[nH]n1
InChIInChI=1S/C10H10Cl2N4/c11-7-3-1-2-6(10(7)12)4-8(13)9-5-14-16-15-9/h1-3,5,8H,4,13H2,(H,14,15,16)
InChIKeyRMKIWEMXEORGOF-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.35
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine

2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine (PubChem CID 107308912) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine
PubChem CID107308912
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1cn[nH]n1
InChIInChI=1S/C10H10Cl2N4/c11-7-3-1-2-6(10(7)12)4-8(13)9-5-14-16-15-9/h1-3,5,8H,4,13H2,(H,14,15,16)
InChIKeyRMKIWEMXEORGOF-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 107312168
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
2-(2,3-dichlorophenyl)-1-quinoxalin-6-ylethanamine
CID 107308633
2-amino-3-(2,3-dichlorophenyl)propanenitrile
CID 152753494
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
CID 107308540

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine (CID 107308912) is 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine is NC(Cc1cccc(Cl)c1Cl)c1cn[nH]n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine?
The InChIKey is RMKIWEMXEORGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c11-7-3-1-2-6(10(7)12)4-8(13)9-5-14-16-15-9/h1-3,5,8H,4,13H2,(H,14,15,16).
What are the key properties of 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine?
2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine has a molecular weight of 257.12 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 107308912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).