1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine

C15H15FN4 — CID 63816562

IUPAC1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(-n2nnc3ccccc32)c(F)c1
InChIInChI=1S/C15H15FN4/c1-10(17)8-11-6-7-14(12(16)9-11)20-15-5-3-2-4-13(15)18-19-20/h2-7,9-10H,8,17H2,1H3
InChIKeyBJHVONCFVCPKCF-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine

1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine (PubChem CID 63816562) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
PubChem CID63816562
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(-n2nnc3ccccc32)c(F)c1
InChIInChI=1S/C15H15FN4/c1-10(17)8-11-6-7-14(12(16)9-11)20-15-5-3-2-4-13(15)18-19-20/h2-7,9-10H,8,17H2,1H3
InChIKeyBJHVONCFVCPKCF-UHFFFAOYSA-N
XLogP2.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63816257
(1S)-1-[2-(benzotriazol-1-yl)phenyl]ethanamine
CID 29082017
2-(benzotriazol-1-yl)-4,6-difluoroaniline
CID 113325367
1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine
CID 63816242
[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
CID 114065329
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
1-[2-(bromomethyl)-4-methylphenyl]benzotriazole
CID 114054750
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
1-[5-(chloromethyl)-2-methylphenyl]benzotriazole
CID 105405922
2-(benzotriazol-1-yl)-4-ethoxy-5-fluoroaniline
CID 63593244
1-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63815553
4-(benzotriazol-1-yl)benzene-1,3-diol
CID 19816499

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine (CID 63816562) is 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine is CC(N)Cc1ccc(-n2nnc3ccccc32)c(F)c1.
What is the InChIKey of 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine?
The InChIKey is BJHVONCFVCPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-10(17)8-11-6-7-14(12(16)9-11)20-15-5-3-2-4-13(15)18-19-20/h2-7,9-10H,8,17H2,1H3.
What are the key properties of 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine?
1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine has a molecular weight of 270.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63816562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).