[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine

C17H19FN2 — CID 82545690

IUPAC[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCc1cccc2c1CN(Cc1ccccc1F)C2CN
InChIInChI=1S/C17H19FN2/c1-12-5-4-7-14-15(12)11-20(17(14)9-19)10-13-6-2-3-8-16(13)18/h2-8,17H,9-11,19H2,1H3
InChIKeyCDQAMONJKKWZEV-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.15
Rot. Bonds3

About [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine

[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545690) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545690
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCc1cccc2c1CN(Cc1ccccc1F)C2CN
InChIInChI=1S/C17H19FN2/c1-12-5-4-7-14-15(12)11-20(17(14)9-19)10-13-6-2-3-8-16(13)18/h2-8,17H,9-11,19H2,1H3
InChIKeyCDQAMONJKKWZEV-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 110449747
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545606
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545621
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569454
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 82544729

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine (CID 82545690) is [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine is Cc1cccc2c1CN(Cc1ccccc1F)C2CN.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is CDQAMONJKKWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-5-4-7-14-15(12)11-20(17(14)9-19)10-13-6-2-3-8-16(13)18/h2-8,17H,9-11,19H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 270.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).