1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C12H15FN4 — CID 115682035

IUPAC1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnnn1C)c1cccc(F)c1
InChIInChI=1S/C12H15FN4/c1-9(10-4-3-5-11(13)6-10)14-7-12-8-15-16-17(12)2/h3-6,8-9,14H,7H2,1-2H3
InChIKeyCIUIZIZJHBDLLV-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.80
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 115682035) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID115682035
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnnn1C)c1cccc(F)c1
InChIInChI=1S/C12H15FN4/c1-9(10-4-3-5-11(13)6-10)14-7-12-8-15-16-17(12)2/h3-6,8-9,14H,7H2,1-2H3
InChIKeyCIUIZIZJHBDLLV-UHFFFAOYSA-N
XLogP1.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
5-[1-[(3-methyltriazol-4-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115682676
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
5-[[1-(3-fluorophenyl)ethylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630989
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 115682035) is 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is CC(NCc1cnnn1C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is CIUIZIZJHBDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-9(10-4-3-5-11(13)6-10)14-7-12-8-15-16-17(12)2/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115682035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).