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

C17H19FN2O — CID 82545594

IUPAC[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccccc1CN1Cc2c(F)cccc2C1CN
InChIInChI=1S/C17H19FN2O/c1-21-17-8-3-2-5-12(17)10-20-11-14-13(16(20)9-19)6-4-7-15(14)18/h2-8,16H,9-11,19H2,1H3
InChIKeyCTTNXSXPEWTMSW-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.85
Rot. Bonds4

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

[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545594) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545594
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccccc1CN1Cc2c(F)cccc2C1CN
InChIInChI=1S/C17H19FN2O/c1-21-17-8-3-2-5-12(17)10-20-11-14-13(16(20)9-19)6-4-7-15(14)18/h2-8,16H,9-11,19H2,1H3
InChIKeyCTTNXSXPEWTMSW-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545606
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 110449747
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545386
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545621
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
CID 110449575

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 82545594) is [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is COc1ccccc1CN1Cc2c(F)cccc2C1CN.
What is the InChIKey of [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is CTTNXSXPEWTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-17-8-3-2-5-12(17)10-20-11-14-13(16(20)9-19)6-4-7-15(14)18/h2-8,16H,9-11,19H2,1H3.
What are the key properties of [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 286.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).