N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine

C13H18N2O — CID 65335513

IUPACN-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
SMILESCCNCc1c(C)[nH]c2c(OC)cccc12
InChIInChI=1S/C13H18N2O/c1-4-14-8-11-9(2)15-13-10(11)6-5-7-12(13)16-3/h5-7,14-15H,4,8H2,1-3H3
InChIKeyUJQGROREDMZMQG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.59
Rot. Bonds4

About N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine

N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine (PubChem CID 65335513) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
PubChem CID65335513
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
SMILESCCNCc1c(C)[nH]c2c(OC)cccc12
InChIInChI=1S/C13H18N2O/c1-4-14-8-11-9(2)15-13-10(11)6-5-7-12(13)16-3/h5-7,14-15H,4,8H2,1-3H3
InChIKeyUJQGROREDMZMQG-UHFFFAOYSA-N
XLogP2.59
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.59
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

N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335563
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 96675406
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
3-ethyl-2-methyl-1H-indol-7-ol
CID 130049392
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 65333048
3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole
CID 142101066
7-methoxy-N-(3-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859939

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine (CID 65335513) is N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine is CCNCc1c(C)[nH]c2c(OC)cccc12.
What is the InChIKey of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine?
The InChIKey is UJQGROREDMZMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-14-8-11-9(2)15-13-10(11)6-5-7-12(13)16-3/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine?
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65335513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).