tert-butyl formate;7-phenyl-1H-indol-5-amine

C19H22N2O2 — CID 174767413

IUPACtert-butyl formate;7-phenyl-1H-indol-5-amine
SMILESCC(C)(C)OC=O.Nc1cc(-c2ccccc2)c2[nH]ccc2c1
InChIInChI=1S/C14H12N2.C5H10O2/c15-12-8-11-6-7-16-14(11)13(9-12)10-4-2-1-3-5-10;1-5(2,3)7-4-6/h1-9,16H,15H2;4H,1-3H3
InChIKeyQJINYWXFCQGYFV-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.38
Rot. Bonds2

About tert-butyl formate;7-phenyl-1H-indol-5-amine

tert-butyl formate;7-phenyl-1H-indol-5-amine (PubChem CID 174767413) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl formate;7-phenyl-1H-indol-5-amine.

Molecular Properties

Compound Nametert-butyl formate;7-phenyl-1H-indol-5-amine
PubChem CID174767413
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nametert-butyl formate;7-phenyl-1H-indol-5-amine
SMILESCC(C)(C)OC=O.Nc1cc(-c2ccccc2)c2[nH]ccc2c1
InChIInChI=1S/C14H12N2.C5H10O2/c15-12-8-11-6-7-16-14(11)13(9-12)10-4-2-1-3-5-10;1-5(2,3)7-4-6/h1-9,16H,15H2;4H,1-3H3
InChIKeyQJINYWXFCQGYFV-UHFFFAOYSA-N
XLogP4.38
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;7-phenyl-1H-indol-5-amine?
The IUPAC name of tert-butyl formate;7-phenyl-1H-indol-5-amine (CID 174767413) is tert-butyl formate;7-phenyl-1H-indol-5-amine.
What is the SMILES notation for tert-butyl formate;7-phenyl-1H-indol-5-amine?
The canonical SMILES for tert-butyl formate;7-phenyl-1H-indol-5-amine is CC(C)(C)OC=O.Nc1cc(-c2ccccc2)c2[nH]ccc2c1.
What is the InChIKey of tert-butyl formate;7-phenyl-1H-indol-5-amine?
The InChIKey is QJINYWXFCQGYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C5H10O2/c15-12-8-11-6-7-16-14(11)13(9-12)10-4-2-1-3-5-10;1-5(2,3)7-4-6/h1-9,16H,15H2;4H,1-3H3.
What are the key properties of tert-butyl formate;7-phenyl-1H-indol-5-amine?
tert-butyl formate;7-phenyl-1H-indol-5-amine has a molecular weight of 310.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;7-phenyl-1H-indol-5-amine is sourced from PubChem (CID 174767413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).