4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline

C17H18N2O — CID 19779449

IUPAC4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
SMILESCOc1ccc2c(c1)cc(C)n2Cc1ccc(N)cc1
InChIInChI=1S/C17H18N2O/c1-12-9-14-10-16(20-2)7-8-17(14)19(12)11-13-3-5-15(18)6-4-13/h3-10H,11,18H2,1-2H3
InChIKeyUHIARKMNMMNLOW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds3

About 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline

4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline (PubChem CID 19779449) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
PubChem CID19779449
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
SMILESCOc1ccc2c(c1)cc(C)n2Cc1ccc(N)cc1
InChIInChI=1S/C17H18N2O/c1-12-9-14-10-16(20-2)7-8-17(14)19(12)11-13-3-5-15(18)6-4-13/h3-10H,11,18H2,1-2H3
InChIKeyUHIARKMNMMNLOW-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
3-[4-[[4-[(5-methoxy-2-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159997
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347653
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
5-amino-4-chloro-1-[(4-methoxyphenyl)methyl]pyrrole-2-thiol
CID 146323564
2-[(4-aminophenyl)methyl]-6-methoxyisoquinolin-1-one
CID 82151488
[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate
CID 67984684

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline?
The IUPAC name of 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline (CID 19779449) is 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline?
The canonical SMILES for 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline is COc1ccc2c(c1)cc(C)n2Cc1ccc(N)cc1.
What is the InChIKey of 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline?
The InChIKey is UHIARKMNMMNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-9-14-10-16(20-2)7-8-17(14)19(12)11-13-3-5-15(18)6-4-13/h3-10H,11,18H2,1-2H3.
What are the key properties of 4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline?
4-[(5-methoxy-2-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-[(5-methoxy-2-methylindol-1-yl)methyl]aniline is sourced from PubChem (CID 19779449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).