4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline

C22H22N2 — CID 72701917

IUPAC4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
SMILESCCC(=C(c1ccc(N)cc1)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C22H22N2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15H,2,23-24H2,1H3
InChIKeySOAVQRZLXNQHOD-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.22
Rot. Bonds4

About 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline

4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline (PubChem CID 72701917) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
PubChem CID72701917
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
SMILESCCC(=C(c1ccc(N)cc1)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C22H22N2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15H,2,23-24H2,1H3
InChIKeySOAVQRZLXNQHOD-UHFFFAOYSA-N
XLogP5.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-1-(4-aminophenyl)-2-phenylbut-1-enyl]phenyl] hydrogen sulfate
CID 122463848
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 167478772
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
(E)-3-[4-[(E)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 22144591
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
4-phenylhex-3-en-3-amine
CID 140615450

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline (CID 72701917) is 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline is CCC(=C(c1ccc(N)cc1)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline?
The InChIKey is SOAVQRZLXNQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15H,2,23-24H2,1H3.
What are the key properties of 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline?
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline has a molecular weight of 314.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline is sourced from PubChem (CID 72701917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).