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

C16H18N2O — CID 43370268

IUPAC2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCOc1cccc(CN2Cc3cccc(N)c3C2)c1
InChIInChI=1S/C16H18N2O/c1-19-14-6-2-4-12(8-14)9-18-10-13-5-3-7-16(17)15(13)11-18/h2-8H,9-11,17H2,1H3
InChIKeyMINHANHEXZZBRU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.79
Rot. Bonds3

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

2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 43370268) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID43370268
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCOc1cccc(CN2Cc3cccc(N)c3C2)c1
InChIInChI=1S/C16H18N2O/c1-19-14-6-2-4-12(8-14)9-18-10-13-5-3-7-16(17)15(13)11-18/h2-8H,9-11,17H2,1H3
InChIKeyMINHANHEXZZBRU-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-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
2-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 102877712
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine (CID 43370268) is 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine is COc1cccc(CN2Cc3cccc(N)c3C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is MINHANHEXZZBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-14-6-2-4-12(8-14)9-18-10-13-5-3-7-16(17)15(13)11-18/h2-8H,9-11,17H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(3-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-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).