3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine

C23H21N3O2 — CID 141243133

IUPAC3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine
SMILESNC1=CC(c2ccccc2)(c2cccc(Nc3ccc4c(c3)OCO4)c2)CN1
InChIInChI=1S/C23H21N3O2/c24-22-13-23(14-25-22,16-5-2-1-3-6-16)17-7-4-8-18(11-17)26-19-9-10-20-21(12-19)28-15-27-20/h1-13,25-26H,14-15,24H2
InChIKeyFEIXYIWTSNWITG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.85
Rot. Bonds4

About 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine

3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine (PubChem CID 141243133) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine
PubChem CID141243133
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine
SMILESNC1=CC(c2ccccc2)(c2cccc(Nc3ccc4c(c3)OCO4)c2)CN1
InChIInChI=1S/C23H21N3O2/c24-22-13-23(14-25-22,16-5-2-1-3-6-16)17-7-4-8-18(11-17)26-19-9-10-20-21(12-19)28-15-27-20/h1-13,25-26H,14-15,24H2
InChIKeyFEIXYIWTSNWITG-UHFFFAOYSA-N
XLogP3.85
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(1,3-benzodioxol-5-ylamino)phenyl]-4-phenyl-5H-1,3-oxazol-2-yl]carbamic acid
CID 90787505
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
4-N-benzhydryl-6-N-(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542150
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
4-(1,3-benzodioxol-5-ylamino)pyridine-2-carbothioamide
CID 55156079
N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
CID 80920460
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
2-(1,3-benzodioxol-5-ylamino)benzoic acid
CID 643226
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82480840
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
CID 171115396

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine?
The IUPAC name of 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine (CID 141243133) is 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine?
The canonical SMILES for 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine is NC1=CC(c2ccccc2)(c2cccc(Nc3ccc4c(c3)OCO4)c2)CN1.
What is the InChIKey of 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine?
The InChIKey is FEIXYIWTSNWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c24-22-13-23(14-25-22,16-5-2-1-3-6-16)17-7-4-8-18(11-17)26-19-9-10-20-21(12-19)28-15-27-20/h1-13,25-26H,14-15,24H2.
What are the key properties of 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine?
3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine has a molecular weight of 371.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-benzodioxol-5-ylamino)phenyl]-3-phenyl-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141243133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).