2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline

C21H19NO2 — CID 68659373

IUPAC2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2C2OCCO2)cc1
InChIInChI=1S/C21H19NO2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-23-15-16-24-21/h1-14,21H,15-16H2
InChIKeyGFSKVHOWTSZSPE-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.20
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline

2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline (PubChem CID 68659373) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline
PubChem CID68659373
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2C2OCCO2)cc1
InChIInChI=1S/C21H19NO2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-23-15-16-24-21/h1-14,21H,15-16H2
InChIKeyGFSKVHOWTSZSPE-UHFFFAOYSA-N
XLogP5.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid
CID 70623114
2-[2-[2-(1,3-dioxolan-2-yl)phenyl]tellanylphenyl]-1,3-dioxolane
CID 3059910
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol
CID 15447749
2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138667897
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
3-(1,3-dioxolan-2-yl)-2-iodoquinoline
CID 11347989
2-(2-trityloxyphenyl)-1,3-dioxolane
CID 173251485
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine
CID 20767384
N,N-diphenylaniline;silane
CID 131739129

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline (CID 68659373) is 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccccc2C2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline?
The InChIKey is GFSKVHOWTSZSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-23-15-16-24-21/h1-14,21H,15-16H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline?
2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline has a molecular weight of 317.39 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 68659373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).