1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine

C13H16N2O2 — CID 82495723

IUPAC1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine
SMILESCc1[nH]c2cc3c(cc2c1CC(C)N)OCO3
InChIInChI=1S/C13H16N2O2/c1-7(14)3-9-8(2)15-11-5-13-12(4-10(9)11)16-6-17-13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyFQIHCXSWUACPIB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.09
Rot. Bonds2

About 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine

1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine (PubChem CID 82495723) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine
PubChem CID82495723
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine
SMILESCc1[nH]c2cc3c(cc2c1CC(C)N)OCO3
InChIInChI=1S/C13H16N2O2/c1-7(14)3-9-8(2)15-11-5-13-12(4-10(9)11)16-6-17-13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyFQIHCXSWUACPIB-UHFFFAOYSA-N
XLogP2.09
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82279096
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777
1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one
CID 82497834
6-methyl-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 5376134
7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
CID 82491733
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
CID 55012870
2-amino-3-(2-methyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propanoic acid
CID 83984661
2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
CID 83984565
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117432619
1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine?
The IUPAC name of 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine (CID 82495723) is 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine?
The canonical SMILES for 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine is Cc1[nH]c2cc3c(cc2c1CC(C)N)OCO3.
What is the InChIKey of 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine?
The InChIKey is FQIHCXSWUACPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7(14)3-9-8(2)15-11-5-13-12(4-10(9)11)16-6-17-13/h4-5,7,15H,3,6,14H2,1-2H3.
What are the key properties of 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine?
1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine has a molecular weight of 232.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine is sourced from PubChem (CID 82495723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).