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

C16H18N2O — CID 82545248

IUPAC[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccccc1N1Cc2ccccc2C1CN
InChIInChI=1S/C16H18N2O/c1-19-16-9-5-4-8-14(16)18-11-12-6-2-3-7-13(12)15(18)10-17/h2-9,15H,10-11,17H2,1H3
InChIKeyAFGOOYWKYAEODR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.72
Rot. Bonds3

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

[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545248) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545248
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccccc1N1Cc2ccccc2C1CN
InChIInChI=1S/C16H18N2O/c1-19-16-9-5-4-8-14(16)18-11-12-6-2-3-7-13(12)15(18)10-17/h2-9,15H,10-11,17H2,1H3
InChIKeyAFGOOYWKYAEODR-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544563
[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545280
2-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile
CID 77105930
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019738
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
4-(aminomethyl)-2-(2-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 79219836
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 [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545248) is [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine is COc1ccccc1N1Cc2ccccc2C1CN.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is AFGOOYWKYAEODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-9-5-4-8-14(16)18-11-12-6-2-3-7-13(12)15(18)10-17/h2-9,15H,10-11,17H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).