1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine

C13H18N2O — CID 65333048

IUPAC1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)[nH]c2c(OC)cccc12
InChIInChI=1S/C13H18N2O/c1-8(14-3)12-9(2)15-13-10(12)6-5-7-11(13)16-4/h5-8,14-15H,1-4H3
InChIKeyCYCHFCABRRUVPL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.77
Rot. Bonds3

About 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine

1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 65333048) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
PubChem CID65333048
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)[nH]c2c(OC)cccc12
InChIInChI=1S/C13H18N2O/c1-8(14-3)12-9(2)15-13-10(12)6-5-7-11(13)16-4/h5-8,14-15H,1-4H3
InChIKeyCYCHFCABRRUVPL-UHFFFAOYSA-N
XLogP2.77
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335563
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
6-methoxy-5H-pyrido[4,3-b]indole
CID 91665960
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
1-methoxy-9H-carbazole;oxirane
CID 175234481

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine (CID 65333048) is 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine is CNC(C)c1c(C)[nH]c2c(OC)cccc12.
What is the InChIKey of 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is CYCHFCABRRUVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(14-3)12-9(2)15-13-10(12)6-5-7-11(13)16-4/h5-8,14-15H,1-4H3.
What are the key properties of 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine?
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 65333048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).