4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline

C17H18N2O — CID 43341860

IUPAC4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1Cn1ccc2c(C)cccc21
InChIInChI=1S/C17H18N2O/c1-12-4-3-5-16-15(12)8-9-19(16)11-13-10-14(18)6-7-17(13)20-2/h3-10H,11,18H2,1-2H3
InChIKeyYGZIOKJPXLGSGK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds3

About 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline

4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline (PubChem CID 43341860) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
PubChem CID43341860
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1Cn1ccc2c(C)cccc21
InChIInChI=1S/C17H18N2O/c1-12-4-3-5-16-15(12)8-9-19(16)11-13-10-14(18)6-7-17(13)20-2/h3-10H,11,18H2,1-2H3
InChIKeyYGZIOKJPXLGSGK-UHFFFAOYSA-N
XLogP3.59
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
CID 116620241
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
3-[2-(4-methylindol-1-yl)ethoxy]aniline
CID 43365841
4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
CID 83163642
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
1-[(5-amino-2-methoxyphenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579623
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline?
The IUPAC name of 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline (CID 43341860) is 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline is COc1ccc(N)cc1Cn1ccc2c(C)cccc21.
What is the InChIKey of 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline?
The InChIKey is YGZIOKJPXLGSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-4-3-5-16-15(12)8-9-19(16)11-13-10-14(18)6-7-17(13)20-2/h3-10H,11,18H2,1-2H3.
What are the key properties of 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline?
4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline has a molecular weight of 266.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline is sourced from PubChem (CID 43341860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).