2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline

C22H22N2 — CID 118930745

IUPAC2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline
SMILESCNc1ccccc1/C=C\Cc1cccc(-c2ccccc2N)c1
InChIInChI=1S/C22H22N2/c1-24-22-15-5-2-10-18(22)11-6-8-17-9-7-12-19(16-17)20-13-3-4-14-21(20)23/h2-7,9-16,24H,8,23H2,1H3/b11-6-
InChIKeyLUNSDTVYVADOIS-WDZFZDKYSA-N
MW314.43 g/mol
LogP5.23
Rot. Bonds5

About 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline

2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline (PubChem CID 118930745) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline
PubChem CID118930745
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline
SMILESCNc1ccccc1/C=C\Cc1cccc(-c2ccccc2N)c1
InChIInChI=1S/C22H22N2/c1-24-22-15-5-2-10-18(22)11-6-8-17-9-7-12-19(16-17)20-13-3-4-14-21(20)23/h2-7,9-16,24H,8,23H2,1H3/b11-6-
InChIKeyLUNSDTVYVADOIS-WDZFZDKYSA-N
XLogP5.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
N-methyl-2-(3-methylphenyl)aniline
CID 59454343
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
CID 135213041
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332
2-(3-ethoxyphenyl)aniline
CID 57482711
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
[3-amino-5-(2-aminophenyl)phenyl]methanol
CID 68786518
2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline
CID 142621879
palladium(2+);2-phenylaniline
CID 175718665
2-phenylaniline;hydrochloride
CID 5284347

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline?
The IUPAC name of 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline (CID 118930745) is 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline.
What is the SMILES notation for 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline?
The canonical SMILES for 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline is CNc1ccccc1/C=C\Cc1cccc(-c2ccccc2N)c1.
What is the InChIKey of 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline?
The InChIKey is LUNSDTVYVADOIS-WDZFZDKYSA-N. The full InChI is InChI=1S/C22H22N2/c1-24-22-15-5-2-10-18(22)11-6-8-17-9-7-12-19(16-17)20-13-3-4-14-21(20)23/h2-7,9-16,24H,8,23H2,1H3/b11-6-.
What are the key properties of 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline?
2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline has a molecular weight of 314.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline is sourced from PubChem (CID 118930745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).