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

C13H17ClN4 — CID 107053484

IUPAC2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cn(C)nn1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4/c1-15-8-10(7-11-9-18(2)17-16-11)12-5-3-4-6-13(12)14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyHKJXQJOMNXQJLG-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.01
Rot. Bonds5

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

2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107053484) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107053484
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cn(C)nn1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4/c1-15-8-10(7-11-9-18(2)17-16-11)12-5-3-4-6-13(12)14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyHKJXQJOMNXQJLG-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 107053486
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
2-(2-bromophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053492
4-[3-chloro-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058169
2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79449278
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
2-[(4-chlorophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052956
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053398
4-[3-bromo-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058173
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047739

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107053484) is 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine is CNCC(Cc1cn(C)nn1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is HKJXQJOMNXQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-15-8-10(7-11-9-18(2)17-16-11)12-5-3-4-6-13(12)14/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107053484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).