N-(3-phenylphenyl)-1,3-dioxol-2-amine

C15H13NO2 — CID 69008080

IUPACN-(3-phenylphenyl)-1,3-dioxol-2-amine
SMILESC1=COC(Nc2cccc(-c3ccccc3)c2)O1
InChIInChI=1S/C15H13NO2/c1-2-5-12(6-3-1)13-7-4-8-14(11-13)16-15-17-9-10-18-15/h1-11,15-16H
InChIKeyKRCSVGAKYYSIPC-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.57
Rot. Bonds3

About N-(3-phenylphenyl)-1,3-dioxol-2-amine

N-(3-phenylphenyl)-1,3-dioxol-2-amine (PubChem CID 69008080) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-phenylphenyl)-1,3-dioxol-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-1,3-dioxol-2-amine
PubChem CID69008080
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-(3-phenylphenyl)-1,3-dioxol-2-amine
SMILESC1=COC(Nc2cccc(-c3ccccc3)c2)O1
InChIInChI=1S/C15H13NO2/c1-2-5-12(6-3-1)13-7-4-8-14(11-13)16-15-17-9-10-18-15/h1-11,15-16H
InChIKeyKRCSVGAKYYSIPC-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-1,3-dioxol-2-amine?
The IUPAC name of N-(3-phenylphenyl)-1,3-dioxol-2-amine (CID 69008080) is N-(3-phenylphenyl)-1,3-dioxol-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-1,3-dioxol-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-1,3-dioxol-2-amine is C1=COC(Nc2cccc(-c3ccccc3)c2)O1.
What is the InChIKey of N-(3-phenylphenyl)-1,3-dioxol-2-amine?
The InChIKey is KRCSVGAKYYSIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-5-12(6-3-1)13-7-4-8-14(11-13)16-15-17-9-10-18-15/h1-11,15-16H.
What are the key properties of N-(3-phenylphenyl)-1,3-dioxol-2-amine?
N-(3-phenylphenyl)-1,3-dioxol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-1,3-dioxol-2-amine is sourced from PubChem (CID 69008080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).