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

C18H22N2O2 — CID 82545430

IUPAC[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc2c(c1)C(CN)N(Cc1ccccc1OC)C2
InChIInChI=1S/C18H22N2O2/c1-21-15-8-7-13-11-20(17(10-19)16(13)9-15)12-14-5-3-4-6-18(14)22-2/h3-9,17H,10-12,19H2,1-2H3
InChIKeyCXBGWAYZZUDXFW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.72
Rot. Bonds5

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

[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545430) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545430
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc2c(c1)C(CN)N(Cc1ccccc1OC)C2
InChIInChI=1S/C18H22N2O2/c1-21-15-8-7-13-11-20(17(10-19)16(13)9-15)12-14-5-3-4-6-18(14)22-2/h3-9,17H,10-12,19H2,1-2H3
InChIKeyCXBGWAYZZUDXFW-UHFFFAOYSA-N
XLogP2.72
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine with MolForge

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Related Compounds

[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
CID 82545451
[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110449874
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545491
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(5-bromo-2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-dihydroisoindole
CID 22744972
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
CID 70790411

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 82545430) is [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is COc1ccc2c(c1)C(CN)N(Cc1ccccc1OC)C2.
What is the InChIKey of [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is CXBGWAYZZUDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-15-8-7-13-11-20(17(10-19)16(13)9-15)12-14-5-3-4-6-18(14)22-2/h3-9,17H,10-12,19H2,1-2H3.
What are the key properties of [6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 2.72, 5 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)methyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).