4-methoxy-1,3-dihydroisoindol-2-amine

C9H12N2O — CID 125426011

IUPAC4-methoxy-1,3-dihydroisoindol-2-amine
SMILESCOc1cccc2c1CN(N)C2
InChIInChI=1S/C9H12N2O/c1-12-9-4-2-3-7-5-11(10)6-8(7)9/h2-4H,5-6,10H2,1H3
InChIKeyRFKJFNZDNRWWIP-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.88
Rot. Bonds1

About 4-methoxy-1,3-dihydroisoindol-2-amine

4-methoxy-1,3-dihydroisoindol-2-amine (PubChem CID 125426011) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methoxy-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound Name4-methoxy-1,3-dihydroisoindol-2-amine
PubChem CID125426011
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-methoxy-1,3-dihydroisoindol-2-amine
SMILESCOc1cccc2c1CN(N)C2
InChIInChI=1S/C9H12N2O/c1-12-9-4-2-3-7-5-11(10)6-8(7)9/h2-4H,5-6,10H2,1H3
InChIKeyRFKJFNZDNRWWIP-UHFFFAOYSA-N
XLogP0.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
4-chloro-1,3-dihydroisoindol-2-amine
CID 13131606
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907
3-amino-1-(4-methoxy-1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 23091965
2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole
CID 19692001
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
CID 15933736
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 138619078

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-dihydroisoindol-2-amine?
The IUPAC name of 4-methoxy-1,3-dihydroisoindol-2-amine (CID 125426011) is 4-methoxy-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for 4-methoxy-1,3-dihydroisoindol-2-amine?
The canonical SMILES for 4-methoxy-1,3-dihydroisoindol-2-amine is COc1cccc2c1CN(N)C2.
What is the InChIKey of 4-methoxy-1,3-dihydroisoindol-2-amine?
The InChIKey is RFKJFNZDNRWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-9-4-2-3-7-5-11(10)6-8(7)9/h2-4H,5-6,10H2,1H3.
What are the key properties of 4-methoxy-1,3-dihydroisoindol-2-amine?
4-methoxy-1,3-dihydroisoindol-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 125426011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).