4-(2,3-dihydroindol-1-yl)-2-methoxyaniline

C15H16N2O — CID 63672438

IUPAC4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
SMILESCOc1cc(N2CCc3ccccc32)ccc1N
InChIInChI=1S/C15H16N2O/c1-18-15-10-12(6-7-13(15)16)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,16H2,1H3
InChIKeyFESJNUWHRMKVPR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.97
Rot. Bonds2

About 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline

4-(2,3-dihydroindol-1-yl)-2-methoxyaniline (PubChem CID 63672438) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
PubChem CID63672438
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
SMILESCOc1cc(N2CCc3ccccc32)ccc1N
InChIInChI=1S/C15H16N2O/c1-18-15-10-12(6-7-13(15)16)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,16H2,1H3
InChIKeyFESJNUWHRMKVPR-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline (CID 63672438) is 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline is COc1cc(N2CCc3ccccc32)ccc1N.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline?
The InChIKey is FESJNUWHRMKVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-15-10-12(6-7-13(15)16)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline?
4-(2,3-dihydroindol-1-yl)-2-methoxyaniline has a molecular weight of 240.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-2-methoxyaniline is sourced from PubChem (CID 63672438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).