7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine

C23H30N4O2 — CID 67973389

IUPAC7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine
SMILESCOc1ccc(N)c2c(C)c(C)[nH]c12.COc1ccc(N)c2c(C)c(C)n(C)c12
InChIInChI=1S/C12H16N2O.C11H14N2O/c1-7-8(2)14(3)12-10(15-4)6-5-9(13)11(7)12;1-6-7(2)13-11-9(14-3)5-4-8(12)10(6)11/h5-6H,13H2,1-4H3;4-5,13H,12H2,1-3H3
InChIKeyLPQAWONFSXBJSX-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.76
Rot. Bonds2

About 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine

7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine (PubChem CID 67973389) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine.

Molecular Properties

Compound Name7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine
PubChem CID67973389
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine
SMILESCOc1ccc(N)c2c(C)c(C)[nH]c12.COc1ccc(N)c2c(C)c(C)n(C)c12
InChIInChI=1S/C12H16N2O.C11H14N2O/c1-7-8(2)14(3)12-10(15-4)6-5-9(13)11(7)12;1-6-7(2)13-11-9(14-3)5-4-8(12)10(6)11/h5-6H,13H2,1-4H3;4-5,13H,12H2,1-3H3
InChIKeyLPQAWONFSXBJSX-UHFFFAOYSA-N
XLogP4.76
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-methyl-9H-carbazole
CID 375150
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756
5-methoxy-2-phenyl-N,N-dimethyltryptamine
CID 6918515
Benanserin Hydrochloride
CID 10670
3-Methoxy-9H-carbazole
CID 519621
2-Ethyl-5-methoxy-N,N-dimethyltryptamine
CID 6918513
1H-Indole, 3,3'-methylenebis[5-methoxy-
CID 9944370
3,6-Dimethoxy-9H-carbazole
CID 644464
Murrastifoline F
CID 10432278
2-(Indolin-1yl)-melatonin
CID 25210130
5-methoxy-2-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 44456023
17-Methoxy-11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene
CID 44439942

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine?
The IUPAC name of 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine (CID 67973389) is 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine.
What is the SMILES notation for 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine?
The canonical SMILES for 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine is COc1ccc(N)c2c(C)c(C)[nH]c12.COc1ccc(N)c2c(C)c(C)n(C)c12.
What is the InChIKey of 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine?
The InChIKey is LPQAWONFSXBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C11H14N2O/c1-7-8(2)14(3)12-10(15-4)6-5-9(13)11(7)12;1-6-7(2)13-11-9(14-3)5-4-8(12)10(6)11/h5-6H,13H2,1-4H3;4-5,13H,12H2,1-3H3.
What are the key properties of 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine?
7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine has a molecular weight of 394.52 g/mol, XLogP of 4.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine is sourced from PubChem (CID 67973389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).