[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine

C15H15FN2 — CID 55049952

IUPAC[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H15FN2/c16-14-5-6-15(13(7-14)8-17)18-9-11-3-1-2-4-12(11)10-18/h1-7H,8-10,17H2
InChIKeyPGNAHJPCHWZXQW-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.80
Rot. Bonds2

About [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine

[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine (PubChem CID 55049952) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
PubChem CID55049952
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H15FN2/c16-14-5-6-15(13(7-14)8-17)18-9-11-3-1-2-4-12(11)10-18/h1-7H,8-10,17H2
InChIKeyPGNAHJPCHWZXQW-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indoline
CID 10328
2-Methylindoline
CID 23305
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-Phenylisoindoline
CID 226063
5-Fluoroindoline
CID 2774463
3-(4-Fluorophenyl)-11-methyl-3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 9993922
N-(4-fluorophenyl)-1-indolinecarbothioamide
CID 681189
trans-8-Fluoro-5-(p-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 13014387
(S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735305
(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 44305977
1H-Indole, 2,3-dihydro-1-(trifluoromethyl)-
CID 10877857

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine (CID 55049952) is [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine is NCc1cc(F)ccc1N1Cc2ccccc2C1.
What is the InChIKey of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine?
The InChIKey is PGNAHJPCHWZXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-14-5-6-15(13(7-14)8-17)18-9-11-3-1-2-4-12(11)10-18/h1-7H,8-10,17H2.
What are the key properties of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine?
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine has a molecular weight of 242.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 55049952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).