2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline

C11H15FN2 — CID 130600344

IUPAC2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline
SMILESCC1CC1NCc1cccc(N)c1F
InChIInChI=1S/C11H15FN2/c1-7-5-10(7)14-6-8-3-2-4-9(13)11(8)12/h2-4,7,10,14H,5-6,13H2,1H3
InChIKeyKUQLVFRCKCYFMI-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.91
Rot. Bonds3

About 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline

2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline (PubChem CID 130600344) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline
PubChem CID130600344
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline
SMILESCC1CC1NCc1cccc(N)c1F
InChIInChI=1S/C11H15FN2/c1-7-5-10(7)14-6-8-3-2-4-9(13)11(8)12/h2-4,7,10,14H,5-6,13H2,1H3
InChIKeyKUQLVFRCKCYFMI-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline?
The IUPAC name of 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline (CID 130600344) is 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline.
What is the SMILES notation for 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline?
The canonical SMILES for 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline is CC1CC1NCc1cccc(N)c1F.
What is the InChIKey of 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline?
The InChIKey is KUQLVFRCKCYFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7-5-10(7)14-6-8-3-2-4-9(13)11(8)12/h2-4,7,10,14H,5-6,13H2,1H3.
What are the key properties of 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline?
2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline has a molecular weight of 194.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline is sourced from PubChem (CID 130600344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).