1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine

C12H15FN4 — CID 113374919

IUPAC1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCC(NCCn1ccnn1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN4/c1-10(11-2-4-12(13)5-3-11)14-6-8-17-9-7-15-16-17/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyDGHZOFRBXWFWBF-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.77
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine

1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine (PubChem CID 113374919) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
PubChem CID113374919
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCC(NCCn1ccnn1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN4/c1-10(11-2-4-12(13)5-3-11)14-6-8-17-9-7-15-16-17/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyDGHZOFRBXWFWBF-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374917
1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374915
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-(4-bromophenyl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 103522462
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81347331
N-[1-(4-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43180866

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine (CID 113374919) is 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine is CC(NCCn1ccnn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The InChIKey is DGHZOFRBXWFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-10(11-2-4-12(13)5-3-11)14-6-8-17-9-7-15-16-17/h2-5,7,9-10,14H,6,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 113374919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).