2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine

C12H15ClN4 — CID 114687049

IUPAC2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cnnn1C
InChIInChI=1S/C12H15ClN4/c1-14-11(12-8-15-16-17(12)2)7-9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3
InChIKeyWGNSWNCMGSHXBH-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine

2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 114687049) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID114687049
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cnnn1C
InChIInChI=1S/C12H15ClN4/c1-14-11(12-8-15-16-17(12)2)7-9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3
InChIKeyWGNSWNCMGSHXBH-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687616
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
2-(3-chlorophenyl)-1-isoquinolin-4-yl-N-methylethanamine
CID 63940548
2-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 55187555
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213157
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine (CID 114687049) is 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine is CNC(Cc1cccc(Cl)c1)c1cnnn1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is WGNSWNCMGSHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-14-11(12-8-15-16-17(12)2)7-9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 250.73 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).