(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine

C12H14F2N2 — CID 82545082

IUPAC(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(F)cc(F)c2CN1C1CC1
InChIInChI=1S/C12H14F2N2/c13-7-3-9-10(11(14)4-7)6-16(8-1-2-8)12(9)5-15/h3-4,8,12H,1-2,5-6,15H2
InChIKeyBMUBPSARWZYFHC-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.94
Rot. Bonds2

About (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine

(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545082) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545082
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(F)cc(F)c2CN1C1CC1
InChIInChI=1S/C12H14F2N2/c13-7-3-9-10(11(14)4-7)6-16(8-1-2-8)12(9)5-15/h3-4,8,12H,1-2,5-6,15H2
InChIKeyBMUBPSARWZYFHC-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclopropyl-4,5,6-trifluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82544719
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619
1-[1-(aminomethyl)-4,6-difluoro-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545074
(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545132
[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545103
[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545535
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
[4,6-difluoro-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545028
4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
CID 82545163
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine (CID 82545082) is (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cc(F)cc(F)c2CN1C1CC1.
What is the InChIKey of (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is BMUBPSARWZYFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c13-7-3-9-10(11(14)4-7)6-16(8-1-2-8)12(9)5-15/h3-4,8,12H,1-2,5-6,15H2.
What are the key properties of (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 224.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).