2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol

C17H18N2O2 — CID 117177231

IUPAC2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol
SMILESCCn1c(COc2ccccc2O)cc2cc(N)ccc21
InChIInChI=1S/C17H18N2O2/c1-2-19-14(10-12-9-13(18)7-8-15(12)19)11-21-17-6-4-3-5-16(17)20/h3-10,20H,2,11,18H2,1H3
InChIKeyJGBDJZIVIANWJL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.53
Rot. Bonds4

About 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol

2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol (PubChem CID 117177231) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol
PubChem CID117177231
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol
SMILESCCn1c(COc2ccccc2O)cc2cc(N)ccc21
InChIInChI=1S/C17H18N2O2/c1-2-19-14(10-12-9-13(18)7-8-15(12)19)11-21-17-6-4-3-5-16(17)20/h3-10,20H,2,11,18H2,1H3
InChIKeyJGBDJZIVIANWJL-UHFFFAOYSA-N
XLogP3.53
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.53
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 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol?
The IUPAC name of 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol (CID 117177231) is 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol.
What is the SMILES notation for 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol?
The canonical SMILES for 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol is CCn1c(COc2ccccc2O)cc2cc(N)ccc21.
What is the InChIKey of 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol?
The InChIKey is JGBDJZIVIANWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-19-14(10-12-9-13(18)7-8-15(12)19)11-21-17-6-4-3-5-16(17)20/h3-10,20H,2,11,18H2,1H3.
What are the key properties of 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol?
2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol is sourced from PubChem (CID 117177231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).