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

C13H17ClN4 — CID 79449278

IUPAC2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCNCC(Cc1ncnn1C)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4/c1-15-8-10(7-13-16-9-17-18(13)2)11-5-3-4-6-12(11)14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyBXKYPRZUNUOHKK-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.01
Rot. Bonds5

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

2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 79449278) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID79449278
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCNCC(Cc1ncnn1C)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4/c1-15-8-10(7-13-16-9-17-18(13)2)11-5-3-4-6-12(11)14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyBXKYPRZUNUOHKK-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

N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79421253
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997834
1-(2-iodophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997588
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209742
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997495
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine
CID 124593115
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 79449278) is 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is CNCC(Cc1ncnn1C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is BXKYPRZUNUOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-15-8-10(7-13-16-9-17-18(13)2)11-5-3-4-6-12(11)14/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-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-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 79449278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).