2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol

C17H20N2O3 — CID 82544563

IUPAC2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol
SMILESCOc1cc2c(c(OC)c1)C(CN)N(c1ccccc1O)C2
InChIInChI=1S/C17H20N2O3/c1-21-12-7-11-10-19(13-5-3-4-6-15(13)20)14(9-18)17(11)16(8-12)22-2/h3-8,14,20H,9-10,18H2,1-2H3
InChIKeySPYJJXVQBUQVTE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.43
Rot. Bonds4

About 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol

2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol (PubChem CID 82544563) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol
PubChem CID82544563
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol
SMILESCOc1cc2c(c(OC)c1)C(CN)N(c1ccccc1O)C2
InChIInChI=1S/C17H20N2O3/c1-21-12-7-11-10-19(13-5-3-4-6-15(13)20)14(9-18)17(11)16(8-12)22-2/h3-8,14,20H,9-10,18H2,1-2H3
InChIKeySPYJJXVQBUQVTE-UHFFFAOYSA-N
XLogP2.43
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110449874
[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
3-[1-(aminomethyl)-4-fluoro-6-methoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544879
(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
CID 56654264
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
(3S,4R)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 95241564
(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 95241563
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169849
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584
2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 3725456
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol?
The IUPAC name of 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol (CID 82544563) is 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol.
What is the SMILES notation for 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol?
The canonical SMILES for 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol is COc1cc2c(c(OC)c1)C(CN)N(c1ccccc1O)C2.
What is the InChIKey of 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol?
The InChIKey is SPYJJXVQBUQVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-12-7-11-10-19(13-5-3-4-6-15(13)20)14(9-18)17(11)16(8-12)22-2/h3-8,14,20H,9-10,18H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol?
2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol has a molecular weight of 300.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol is sourced from PubChem (CID 82544563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).