4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline

C16H18N2O2 — CID 141058768

IUPAC4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
SMILESCOc1cc2c(cc1OC)NC(c1ccc(N)cc1)C2
InChIInChI=1S/C16H18N2O2/c1-19-15-8-11-7-13(10-3-5-12(17)6-4-10)18-14(11)9-16(15)20-2/h3-6,8-9,13,18H,7,17H2,1-2H3
InChIKeyFSYRSFOGBZSBMF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.00
Rot. Bonds3

About 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline

4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline (PubChem CID 141058768) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline.

Molecular Properties

Compound Name4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
PubChem CID141058768
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
SMILESCOc1cc2c(cc1OC)NC(c1ccc(N)cc1)C2
InChIInChI=1S/C16H18N2O2/c1-19-15-8-11-7-13(10-3-5-12(17)6-4-10)18-14(11)9-16(15)20-2/h3-6,8-9,13,18H,7,17H2,1-2H3
InChIKeyFSYRSFOGBZSBMF-UHFFFAOYSA-N
XLogP3.00
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10882055
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 102338901
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4014810
4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol
CID 166594248
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline?
The IUPAC name of 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline (CID 141058768) is 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline.
What is the SMILES notation for 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline?
The canonical SMILES for 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline is COc1cc2c(cc1OC)NC(c1ccc(N)cc1)C2.
What is the InChIKey of 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline?
The InChIKey is FSYRSFOGBZSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-8-11-7-13(10-3-5-12(17)6-4-10)18-14(11)9-16(15)20-2/h3-6,8-9,13,18H,7,17H2,1-2H3.
What are the key properties of 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline?
4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline has a molecular weight of 270.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline is sourced from PubChem (CID 141058768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).