2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine

C13H17ClN4 — CID 114213157

IUPAC2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
SMILESCCn1nncc1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C13H17ClN4/c1-3-18-13(9-16-17-18)12(15-2)8-10-4-6-11(14)7-5-10/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyLGRZIQMYJRUBPZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.45
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine

2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine (PubChem CID 114213157) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
PubChem CID114213157
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
SMILESCCn1nncc1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C13H17ClN4/c1-3-18-13(9-16-17-18)12(15-2)8-10-4-6-11(14)7-5-10/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyLGRZIQMYJRUBPZ-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687049
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213525
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine (CID 114213157) is 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine is CCn1nncc1C(Cc1ccc(Cl)cc1)NC.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
The InChIKey is LGRZIQMYJRUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-18-13(9-16-17-18)12(15-2)8-10-4-6-11(14)7-5-10/h4-7,9,12,15H,3,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 114213157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).