1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

C14H19IN4 — CID 105002993

IUPAC1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NC)c1ccccc1I
InChIInChI=1S/C14H19IN4/c1-3-8-19-14(17-10-18-19)9-13(16-2)11-6-4-5-7-12(11)15/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyFMKBDUAMINAODA-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.80
Rot. Bonds6

About 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105002993) has the molecular formula C14H19IN4 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105002993
Molecular FormulaC14H19IN4
Molecular Weight370.24 g/mol
Exact Mass370.07
IUPAC Name1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NC)c1ccccc1I
InChIInChI=1S/C14H19IN4/c1-3-8-19-14(17-10-18-19)9-13(16-2)11-6-4-5-7-12(11)15/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyFMKBDUAMINAODA-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-iodophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997588
1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114906400
1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105065787
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002924
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79421253
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 102951147
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (CID 105002993) is 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is CCCn1ncnc1CC(NC)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FMKBDUAMINAODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN4/c1-3-8-19-14(17-10-18-19)9-13(16-2)11-6-4-5-7-12(11)15/h4-7,10,13,16H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 370.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105002993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).