4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline

C17H18N2O2 — CID 20509727

IUPAC4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
SMILESCOc1ccc(NCc2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C17H18N2O2/c1-20-14-5-3-13(4-6-14)18-10-12-11-19-17-8-7-15(21-2)9-16(12)17/h3-9,11,18-19H,10H2,1-2H3
InChIKeyMSVBYKGBGJWPOE-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.80
Rot. Bonds5

About 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline

4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline (PubChem CID 20509727) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
PubChem CID20509727
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
SMILESCOc1ccc(NCc2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C17H18N2O2/c1-20-14-5-3-13(4-6-14)18-10-12-11-19-17-8-7-15(21-2)9-16(12)17/h3-9,11,18-19H,10H2,1-2H3
InChIKeyMSVBYKGBGJWPOE-UHFFFAOYSA-N
XLogP3.80
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-1H-indol-3-yl)methyl]-4-methoxyaniline
CID 20509762
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
CID 71764616
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline (CID 20509727) is 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline is COc1ccc(NCc2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline?
The InChIKey is MSVBYKGBGJWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-14-5-3-13(4-6-14)18-10-12-11-19-17-8-7-15(21-2)9-16(12)17/h3-9,11,18-19H,10H2,1-2H3.
What are the key properties of 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline?
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline has a molecular weight of 282.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline is sourced from PubChem (CID 20509727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).