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

C16H16F2N2 — CID 82545606

IUPAC[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cccc(F)c2CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H16F2N2/c17-12-6-4-11(5-7-12)9-20-10-14-13(16(20)8-19)2-1-3-15(14)18/h1-7,16H,8-10,19H2
InChIKeyOCTRDMUQBAFMPD-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.98
Rot. Bonds3

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

[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545606) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545606
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cccc(F)c2CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H16F2N2/c17-12-6-4-11(5-7-12)9-20-10-14-13(16(20)8-19)2-1-3-15(14)18/h1-7,16H,8-10,19H2
InChIKeyOCTRDMUQBAFMPD-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.98
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
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545621
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 110449747
2-[(4-chlorophenyl)methyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539995
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619
4-[[3-(aminomethyl)-1,3-dihydrobenzo[e]isoindol-2-yl]methyl]-N,N-dimethylaniline
CID 110449763
[4,5,6-trifluoro-2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449781
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545386

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 82545606) is [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cccc(F)c2CN1Cc1ccc(F)cc1.
What is the InChIKey of [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is OCTRDMUQBAFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-12-6-4-11(5-7-12)9-20-10-14-13(16(20)8-19)2-1-3-15(14)18/h1-7,16H,8-10,19H2.
What are the key properties of [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 274.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).