2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine

C15H15FN2 — CID 117006147

IUPAC2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
SMILESCNc1cccc2c1CN(c1ccccc1F)C2
InChIInChI=1S/C15H15FN2/c1-17-14-7-4-5-11-9-18(10-12(11)14)15-8-3-2-6-13(15)16/h2-8,17H,9-10H2,1H3
InChIKeyQDIBKFPZZVDNBF-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.39
Rot. Bonds2

About 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine

2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine (PubChem CID 117006147) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
PubChem CID117006147
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
SMILESCNc1cccc2c1CN(c1ccccc1F)C2
InChIInChI=1S/C15H15FN2/c1-17-14-7-4-5-11-9-18(10-12(11)14)15-8-3-2-6-13(15)16/h2-8,17H,9-10H2,1H3
InChIKeyQDIBKFPZZVDNBF-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006148
2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006157
2-(2-bromo-4-methylphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006165
5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 148776849
N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 117006133
1-[4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]phenyl]ethanone
CID 117006161
2-tert-butyl-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006127
1-[3-[4-(methylamino)-1,3-dihydroisoindol-2-yl]phenyl]ethanone
CID 117006160
2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
CID 62205545
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-nitroaniline
CID 80751448
2,3-difluoro-N-methylaniline
CID 50998712

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine (CID 117006147) is 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine is CNc1cccc2c1CN(c1ccccc1F)C2.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The InChIKey is QDIBKFPZZVDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-17-14-7-4-5-11-9-18(10-12(11)14)15-8-3-2-6-13(15)16/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine has a molecular weight of 242.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 117006147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).