4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline

C20H19N3 — CID 177474250

IUPAC4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline
SMILES[H]/N=c1/c(-c2ccc(N)cc2)c(-c2ccccc2)cc2n1CCC2
InChIInChI=1S/C20H19N3/c21-16-10-8-15(9-11-16)19-18(14-5-2-1-3-6-14)13-17-7-4-12-23(17)20(19)22/h1-3,5-6,8-11,13,22H,4,7,12,21H2/b22-20-
InChIKeyPIJNCFZWPWTHBN-XDOYNYLZSA-N
MW301.39 g/mol
LogP3.83
Rot. Bonds2

About 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline

4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline (PubChem CID 177474250) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline.

Molecular Properties

Compound Name4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline
PubChem CID177474250
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline
SMILES[H]/N=c1/c(-c2ccc(N)cc2)c(-c2ccccc2)cc2n1CCC2
InChIInChI=1S/C20H19N3/c21-16-10-8-15(9-11-16)19-18(14-5-2-1-3-6-14)13-17-7-4-12-23(17)20(19)22/h1-3,5-6,8-11,13,22H,4,7,12,21H2/b22-20-
InChIKeyPIJNCFZWPWTHBN-XDOYNYLZSA-N
XLogP3.83
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine
CID 177426802
3,4,5-triphenylaniline
CID 123249258
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
3-phenyl-4-pyrrolidin-1-ylaniline
CID 18371751
2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-amine
CID 105435216
5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine
CID 20826016
4-(4,5-diphenylselenophen-2-yl)aniline
CID 153406893
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
2,3,7-triphenylnaphthalen-1-amine
CID 174953963
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996

Frequently Asked Questions

What is the IUPAC name of 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline?
The IUPAC name of 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline (CID 177474250) is 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline.
What is the SMILES notation for 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline?
The canonical SMILES for 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline is [H]/N=c1/c(-c2ccc(N)cc2)c(-c2ccccc2)cc2n1CCC2.
What is the InChIKey of 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline?
The InChIKey is PIJNCFZWPWTHBN-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19N3/c21-16-10-8-15(9-11-16)19-18(14-5-2-1-3-6-14)13-17-7-4-12-23(17)20(19)22/h1-3,5-6,8-11,13,22H,4,7,12,21H2/b22-20-.
What are the key properties of 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline?
4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline has a molecular weight of 301.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-imino-7-phenyl-2,3-dihydro-1H-indolizin-6-yl)aniline is sourced from PubChem (CID 177474250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).