6-phenoxy-3,4-dihydro-2H-chromen-4-amine

C15H15NO2 — CID 43155037

IUPAC6-phenoxy-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C15H15NO2/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-7,10,14H,8-9,16H2
InChIKeyGHDLOUZYBCQDJR-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.26
Rot. Bonds2

About 6-phenoxy-3,4-dihydro-2H-chromen-4-amine

6-phenoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43155037) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-phenoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-phenoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID43155037
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-phenoxy-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C15H15NO2/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-7,10,14H,8-9,16H2
InChIKeyGHDLOUZYBCQDJR-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-phenoxy-3,4-dihydro-2H-chromen-4-amine (CID 43155037) is 6-phenoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-phenoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-phenoxy-3,4-dihydro-2H-chromen-4-amine is NC1CCOc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 6-phenoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GHDLOUZYBCQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-7,10,14H,8-9,16H2.
What are the key properties of 6-phenoxy-3,4-dihydro-2H-chromen-4-amine?
6-phenoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 241.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43155037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).