(2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine

C14H20FN5 — CID 71050129

IUPAC(2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine
SMILESCNC(C)c1cn(-c2ccc(C[C@H](N)CF)cc2)nn1
InChIInChI=1S/C14H20FN5/c1-10(17-2)14-9-20(19-18-14)13-5-3-11(4-6-13)7-12(16)8-15/h3-6,9-10,12,17H,7-8,16H2,1-2H3/t10?,12-/m0/s1
InChIKeyZXZVBYFRXSBPPA-KFJBMODSSA-N
MW277.35 g/mol
LogP1.39
Rot. Bonds6

About (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine

(2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine (PubChem CID 71050129) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine
PubChem CID71050129
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name(2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine
SMILESCNC(C)c1cn(-c2ccc(C[C@H](N)CF)cc2)nn1
InChIInChI=1S/C14H20FN5/c1-10(17-2)14-9-20(19-18-14)13-5-3-11(4-6-13)7-12(16)8-15/h3-6,9-10,12,17H,7-8,16H2,1-2H3/t10?,12-/m0/s1
InChIKeyZXZVBYFRXSBPPA-KFJBMODSSA-N
XLogP1.39
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine (CID 71050129) is (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine is CNC(C)c1cn(-c2ccc(C[C@H](N)CF)cc2)nn1.
What is the InChIKey of (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine?
The InChIKey is ZXZVBYFRXSBPPA-KFJBMODSSA-N. The full InChI is InChI=1S/C14H20FN5/c1-10(17-2)14-9-20(19-18-14)13-5-3-11(4-6-13)7-12(16)8-15/h3-6,9-10,12,17H,7-8,16H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine?
(2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine has a molecular weight of 277.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-[4-[4-[1-(methylamino)ethyl]triazol-1-yl]phenyl]propan-2-amine is sourced from PubChem (CID 71050129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).