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

C13H17FN4 — CID 114834111

IUPAC1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C13H17FN4/c1-13(15,8-12-16-9-17-18(12)2)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8,15H2,1-2H3
InChIKeyMWRRVOIJYRBEDE-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.46
Rot. Bonds4

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

1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 114834111) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID114834111
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C13H17FN4/c1-13(15,8-12-16-9-17-18(12)2)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8,15H2,1-2H3
InChIKeyMWRRVOIJYRBEDE-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 114834047
2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79449892
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 83125748
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111706837
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79013746
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 114834111) is 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1ncnc1CC(C)(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is MWRRVOIJYRBEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-13(15,8-12-16-9-17-18(12)2)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8,15H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 248.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 114834111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).