1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine

C13H18N2O — CID 82493658

IUPAC1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)[nH]c2c(C)cc(OC)cc12
InChIInChI=1S/C13H18N2O/c1-8-5-10(16-4)6-11-12(7-14-3)9(2)15-13(8)11/h5-6,14-15H,7H2,1-4H3
InChIKeyQLFDBTQJBATKGD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.51
Rot. Bonds3

About 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine

1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine (PubChem CID 82493658) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
PubChem CID82493658
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)[nH]c2c(C)cc(OC)cc12
InChIInChI=1S/C13H18N2O/c1-8-5-10(16-4)6-11-12(7-14-3)9(2)15-13(8)11/h5-6,14-15H,7H2,1-4H3
InChIKeyQLFDBTQJBATKGD-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
6-methoxy-4,8-dimethyl-3-[2-(methylamino)ethyl]-1H-quinolin-2-one
CID 84638196
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335149
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
CID 84632299
4-methoxy-2-methyl-6-(methylaminomethyl)phenol
CID 84657983
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[5-methoxy-7-methyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3914330

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine (CID 82493658) is 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine is CNCc1c(C)[nH]c2c(C)cc(OC)cc12.
What is the InChIKey of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is QLFDBTQJBATKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-10(16-4)6-11-12(7-14-3)9(2)15-13(8)11/h5-6,14-15H,7H2,1-4H3.
What are the key properties of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82493658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).