2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine

C16H18N2O — CID 43370116

IUPAC2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCOc1ccccc1CN1Cc2cccc(N)c2C1
InChIInChI=1S/C16H18N2O/c1-19-16-8-3-2-5-13(16)10-18-9-12-6-4-7-15(17)14(12)11-18/h2-8H,9-11,17H2,1H3
InChIKeyXVQAZSOEULIOBR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine

2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 43370116) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID43370116
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCOc1ccccc1CN1Cc2cccc(N)c2C1
InChIInChI=1S/C16H18N2O/c1-19-16-8-3-2-5-13(16)10-18-9-12-6-4-7-15(17)14(12)11-18/h2-8H,9-11,17H2,1H3
InChIKeyXVQAZSOEULIOBR-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 43175805
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine
CID 114957269
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
2-(1-benzothiophen-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 63738985
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 102877712
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
2-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine (CID 43370116) is 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine is COc1ccccc1CN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is XVQAZSOEULIOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-8-3-2-5-13(16)10-18-9-12-6-4-7-15(17)14(12)11-18/h2-8H,9-11,17H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 254.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).