(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine

C13H19FN2 — CID 82545651

IUPAC(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCC(C)N1Cc2c(F)cccc2C1CN
InChIInChI=1S/C13H19FN2/c1-3-9(2)16-8-11-10(13(16)7-15)5-4-6-12(11)14/h4-6,9,13H,3,7-8,15H2,1-2H3
InChIKeyWRAKNWRZVGLQJR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.44
Rot. Bonds3

About (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine

(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545651) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545651
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCC(C)N1Cc2c(F)cccc2C1CN
InChIInChI=1S/C13H19FN2/c1-3-9(2)16-8-11-10(13(16)7-15)5-4-6-12(11)14/h4-6,9,13H,3,7-8,15H2,1-2H3
InChIKeyWRAKNWRZVGLQJR-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
2-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82545189
[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545606
2-[1-(aminomethyl)-4-fluoro-6-methoxy-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82544896
1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
CID 82544921
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545621
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 83907555
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584082

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine (CID 82545651) is (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine is CCC(C)N1Cc2c(F)cccc2C1CN.
What is the InChIKey of (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is WRAKNWRZVGLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-9(2)16-8-11-10(13(16)7-15)5-4-6-12(11)14/h4-6,9,13H,3,7-8,15H2,1-2H3.
What are the key properties of (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).