[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol

C16H18N2O2 — CID 86097964

IUPAC[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol
SMILESCOc1ccc(N2CC(CO)c3ccc(N)cc32)cc1
InChIInChI=1S/C16H18N2O2/c1-20-14-5-3-13(4-6-14)18-9-11(10-19)15-7-2-12(17)8-16(15)18/h2-8,11,19H,9-10,17H2,1H3
InChIKeyDPSHUYMBHXJUDA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds3

About [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol

[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol (PubChem CID 86097964) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol.

Molecular Properties

Compound Name[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol
PubChem CID86097964
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol
SMILESCOc1ccc(N2CC(CO)c3ccc(N)cc32)cc1
InChIInChI=1S/C16H18N2O2/c1-20-14-5-3-13(4-6-14)18-9-11(10-19)15-7-2-12(17)8-16(15)18/h2-8,11,19H,9-10,17H2,1H3
InChIKeyDPSHUYMBHXJUDA-UHFFFAOYSA-N
XLogP2.51
TPSA58.72 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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol?
The IUPAC name of [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol (CID 86097964) is [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol.
What is the SMILES notation for [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol?
The canonical SMILES for [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol is COc1ccc(N2CC(CO)c3ccc(N)cc32)cc1.
What is the InChIKey of [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol?
The InChIKey is DPSHUYMBHXJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-14-5-3-13(4-6-14)18-9-11(10-19)15-7-2-12(17)8-16(15)18/h2-8,11,19H,9-10,17H2,1H3.
What are the key properties of [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol?
[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol has a molecular weight of 270.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol is sourced from PubChem (CID 86097964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).