N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine

C15H21FN4 — CID 43671334

IUPACN-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnn(-c2cc(C)ccc2F)c1C
InChIInChI=1S/C15H21FN4/c1-5-8-17-11(3)15-12(4)20(19-18-15)14-9-10(2)6-7-13(14)16/h6-7,9,11,17H,5,8H2,1-4H3
InChIKeyYOWRYESUTPJSLG-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.08
Rot. Bonds5

About N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine (PubChem CID 43671334) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
PubChem CID43671334
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC NameN-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnn(-c2cc(C)ccc2F)c1C
InChIInChI=1S/C15H21FN4/c1-5-8-17-11(3)15-12(4)20(19-18-15)14-9-10(2)6-7-13(14)16/h6-7,9,11,17H,5,8H2,1-4H3
InChIKeyYOWRYESUTPJSLG-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671120
N-[1-[1-(2,6-difluoro-3-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 82802534
1-[1-(5-bromo-2-fluorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 43671415
N-[1-[1-(2,3-dimethylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671182
1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671272
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189
N-[1-[1-(1,3-dimethylpyrazol-4-yl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 102806980
1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 43671119
N-[1-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084797
4-[5-methyl-4-[1-(propylamino)ethyl]triazol-1-yl]benzonitrile
CID 43671116
1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671154
N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine
CID 43671206

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine (CID 43671334) is N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1nnn(-c2cc(C)ccc2F)c1C.
What is the InChIKey of N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
The InChIKey is YOWRYESUTPJSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-5-8-17-11(3)15-12(4)20(19-18-15)14-9-10(2)6-7-13(14)16/h6-7,9,11,17H,5,8H2,1-4H3.
What are the key properties of N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 43671334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).