(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine

C12H15FN2 — CID 82545575

IUPAC(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(F)ccc2CN1C1CC1
InChIInChI=1S/C12H15FN2/c13-9-2-1-8-7-15(10-3-4-10)12(6-14)11(8)5-9/h1-2,5,10,12H,3-4,6-7,14H2
InChIKeyYNZHBFLDROBNOD-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.80
Rot. Bonds2

About (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine

(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545575) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545575
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(F)ccc2CN1C1CC1
InChIInChI=1S/C12H15FN2/c13-9-2-1-8-7-15(10-3-4-10)12(6-14)11(8)5-9/h1-2,5,10,12H,3-4,6-7,14H2
InChIKeyYNZHBFLDROBNOD-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine (CID 82545575) is (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cc(F)ccc2CN1C1CC1.
What is the InChIKey of (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is YNZHBFLDROBNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-9-2-1-8-7-15(10-3-4-10)12(6-14)11(8)5-9/h1-2,5,10,12H,3-4,6-7,14H2.
What are the key properties of (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 206.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).