(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine

C13H20N2O — CID 82545491

IUPAC(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCOc1ccc2c(c1)C(CN)N(C(C)C)C2
InChIInChI=1S/C13H20N2O/c1-9(2)15-8-10-4-5-11(16-3)6-12(10)13(15)7-14/h4-6,9,13H,7-8,14H2,1-3H3
InChIKeyVIKXLVDAJAZURJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds3

About (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine

(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545491) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545491
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCOc1ccc2c(c1)C(CN)N(C(C)C)C2
InChIInChI=1S/C13H20N2O/c1-9(2)15-8-10-4-5-11(16-3)6-12(10)13(15)7-14/h4-6,9,13H,7-8,14H2,1-3H3
InChIKeyVIKXLVDAJAZURJ-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
CID 82545451
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995754
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
CID 116995755
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995657
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83910921
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine (CID 82545491) is (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine is COc1ccc2c(c1)C(CN)N(C(C)C)C2.
What is the InChIKey of (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is VIKXLVDAJAZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)15-8-10-4-5-11(16-3)6-12(10)13(15)7-14/h4-6,9,13H,7-8,14H2,1-3H3.
What are the key properties of (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine?
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).