5-methoxyindol-1-amine;5-methoxy-1H-indole

C18H19N3O2 — CID 160670246

IUPAC5-methoxyindol-1-amine;5-methoxy-1H-indole
SMILESCOc1ccc2[nH]ccc2c1.COc1ccc2c(ccn2N)c1
InChIInChI=1S/C9H10N2O.C9H9NO/c1-12-8-2-3-9-7(6-8)4-5-11(9)10;1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6H,10H2,1H3;2-6,10H,1H3
InChIKeyRMVJWZXAIBRFSJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.54
Rot. Bonds2

About 5-methoxyindol-1-amine;5-methoxy-1H-indole

5-methoxyindol-1-amine;5-methoxy-1H-indole (PubChem CID 160670246) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-methoxyindol-1-amine;5-methoxy-1H-indole.

Molecular Properties

Compound Name5-methoxyindol-1-amine;5-methoxy-1H-indole
PubChem CID160670246
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-methoxyindol-1-amine;5-methoxy-1H-indole
SMILESCOc1ccc2[nH]ccc2c1.COc1ccc2c(ccn2N)c1
InChIInChI=1S/C9H10N2O.C9H9NO/c1-12-8-2-3-9-7(6-8)4-5-11(9)10;1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6H,10H2,1H3;2-6,10H,1H3
InChIKeyRMVJWZXAIBRFSJ-UHFFFAOYSA-N
XLogP3.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenoxy)-1H-indole
CID 19042832
6-methoxyindol-1-amine
CID 11816030
N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine
CID 110455031
5-methoxy-1-methylindole
CID 819864
5-methylsulfanyloxy-1H-indole
CID 139836435
5-propan-2-yloxy-1H-indole
CID 16738054
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
5-methoxy-1-prop-2-ynylindole
CID 45091362
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
1H-indol-5-yl methanesulfinate
CID 57242710

Frequently Asked Questions

What is the IUPAC name of 5-methoxyindol-1-amine;5-methoxy-1H-indole?
The IUPAC name of 5-methoxyindol-1-amine;5-methoxy-1H-indole (CID 160670246) is 5-methoxyindol-1-amine;5-methoxy-1H-indole.
What is the SMILES notation for 5-methoxyindol-1-amine;5-methoxy-1H-indole?
The canonical SMILES for 5-methoxyindol-1-amine;5-methoxy-1H-indole is COc1ccc2[nH]ccc2c1.COc1ccc2c(ccn2N)c1.
What is the InChIKey of 5-methoxyindol-1-amine;5-methoxy-1H-indole?
The InChIKey is RMVJWZXAIBRFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C9H9NO/c1-12-8-2-3-9-7(6-8)4-5-11(9)10;1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6H,10H2,1H3;2-6,10H,1H3.
What are the key properties of 5-methoxyindol-1-amine;5-methoxy-1H-indole?
5-methoxyindol-1-amine;5-methoxy-1H-indole has a molecular weight of 309.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyindol-1-amine;5-methoxy-1H-indole is sourced from PubChem (CID 160670246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).