(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine

C15H22N2O3 — CID 82544375

IUPAC(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESCOc1cc2c(c(OC)c1OC)C(CN)N(C1CC1)C2
InChIInChI=1S/C15H22N2O3/c1-18-12-6-9-8-17(10-4-5-10)11(7-16)13(9)15(20-3)14(12)19-2/h6,10-11H,4-5,7-8,16H2,1-3H3
InChIKeyGWWAYTOJIYZLFK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.69
Rot. Bonds5

About (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine

(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82544375) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82544375
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESCOc1cc2c(c(OC)c1OC)C(CN)N(C1CC1)C2
InChIInChI=1S/C15H22N2O3/c1-18-12-6-9-8-17(10-4-5-10)11(7-16)13(9)15(20-3)14(12)19-2/h6,10-11H,4-5,7-8,16H2,1-3H3
InChIKeyGWWAYTOJIYZLFK-UHFFFAOYSA-N
XLogP1.69
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-butyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544371
[5,6,7-trimethoxy-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110450135
(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544538
[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545103
(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545132
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575
1,1-dibromo-5,6,7-trimethoxy-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 11486151
[4,5,6-trimethoxy-2-(3-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450153
(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82133858
8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
CID 101480602
(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole
CID 53474782
3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82131838

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine (CID 82544375) is (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine is COc1cc2c(c(OC)c1OC)C(CN)N(C1CC1)C2.
What is the InChIKey of (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is GWWAYTOJIYZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-12-6-9-8-17(10-4-5-10)11(7-16)13(9)15(20-3)14(12)19-2/h6,10-11H,4-5,7-8,16H2,1-3H3.
What are the key properties of (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 278.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82544375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).