N-benzyl-N-phenyl-1,3-dioxol-4-amine

C16H15NO2 — CID 91803142

IUPACN-benzyl-N-phenyl-1,3-dioxol-4-amine
SMILESC1=C(N(Cc2ccccc2)c2ccccc2)OCO1
InChIInChI=1S/C16H15NO2/c1-3-7-14(8-4-1)11-17(16-12-18-13-19-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2
InChIKeyKQOADLYQZFXZMW-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.50
Rot. Bonds4

About N-benzyl-N-phenyl-1,3-dioxol-4-amine

N-benzyl-N-phenyl-1,3-dioxol-4-amine (PubChem CID 91803142) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-benzyl-N-phenyl-1,3-dioxol-4-amine.

Molecular Properties

Compound NameN-benzyl-N-phenyl-1,3-dioxol-4-amine
PubChem CID91803142
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-benzyl-N-phenyl-1,3-dioxol-4-amine
SMILESC1=C(N(Cc2ccccc2)c2ccccc2)OCO1
InChIInChI=1S/C16H15NO2/c1-3-7-14(8-4-1)11-17(16-12-18-13-19-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2
InChIKeyKQOADLYQZFXZMW-UHFFFAOYSA-N
XLogP3.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-phenyl-1,3-dioxol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methyl-N-phenylbenzylamine
CID 69191
Ethyl N-phenyl-N-(phenylmethyl)carbamate
CID 222541
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
CID 44150548
(E)-Methyl-phenyl-(3-phenyl-allyl)-amine
CID 12824366
1,2-Diphenyl-2,5-dihydropyrrole
CID 135025018
2-(N-benzylanilino)ethanol
CID 10680815
N-allyl-N-benzylaniline
CID 11127913
Propylbenzylanilin
CID 14671265
Methyl benzyl(phenyl)carbamate
CID 24973038
N-Methyl-N-(3-phenylprop-2-en-1-yl)aniline
CID 53825062
N-benzyl-N-pentylaniline
CID 53969275
1,2-Diphenylazepine
CID 67265210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-1,3-dioxol-4-amine?
The IUPAC name of N-benzyl-N-phenyl-1,3-dioxol-4-amine (CID 91803142) is N-benzyl-N-phenyl-1,3-dioxol-4-amine.
What is the SMILES notation for N-benzyl-N-phenyl-1,3-dioxol-4-amine?
The canonical SMILES for N-benzyl-N-phenyl-1,3-dioxol-4-amine is C1=C(N(Cc2ccccc2)c2ccccc2)OCO1.
What is the InChIKey of N-benzyl-N-phenyl-1,3-dioxol-4-amine?
The InChIKey is KQOADLYQZFXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-7-14(8-4-1)11-17(16-12-18-13-19-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2.
What are the key properties of N-benzyl-N-phenyl-1,3-dioxol-4-amine?
N-benzyl-N-phenyl-1,3-dioxol-4-amine has a molecular weight of 253.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-1,3-dioxol-4-amine is sourced from PubChem (CID 91803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).