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

C17H20N2O2 — CID 82545446

IUPAC[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc2c(c1)C(CN)N(c1ccccc1OC)C2
InChIInChI=1S/C17H20N2O2/c1-20-13-8-7-12-11-19(16(10-18)14(12)9-13)15-5-3-4-6-17(15)21-2/h3-9,16H,10-11,18H2,1-2H3
InChIKeyZTGYQINCMSSPDS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.72
Rot. Bonds4

About [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine

[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545446) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545446
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc2c(c1)C(CN)N(c1ccccc1OC)C2
InChIInChI=1S/C17H20N2O2/c1-20-13-8-7-12-11-19(16(10-18)14(12)9-13)15-5-3-4-6-17(15)21-2/h3-9,16H,10-11,18H2,1-2H3
InChIKeyZTGYQINCMSSPDS-UHFFFAOYSA-N
XLogP2.72
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545491
2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544563
[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110450211
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
CID 82545451
[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine
CID 117022204
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
[4,5,6-trimethoxy-2-(3-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450153
(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450193
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995754

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545446) is [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine is COc1ccc2c(c1)C(CN)N(c1ccccc1OC)C2.
What is the InChIKey of [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is ZTGYQINCMSSPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-13-8-7-12-11-19(16(10-18)14(12)9-13)15-5-3-4-6-17(15)21-2/h3-9,16H,10-11,18H2,1-2H3.
What are the key properties of [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).