N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline

C22H21NO — CID 102394661

IUPACN-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO/c1-24-21-15-13-20(14-16-21)23-22(19-10-6-3-7-11-19)17-12-18-8-4-2-5-9-18/h2-17,22-23H,1H3/b17-12+/t22-/m1/s1
InChIKeyNCQJDPPVLLYZNO-YAECTWJJSA-N
MW315.42 g/mol
LogP5.56
Rot. Bonds6

About N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline

N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline (PubChem CID 102394661) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline
PubChem CID102394661
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO/c1-24-21-15-13-20(14-16-21)23-22(19-10-6-3-7-11-19)17-12-18-8-4-2-5-9-18/h2-17,22-23H,1H3/b17-12+/t22-/m1/s1
InChIKeyNCQJDPPVLLYZNO-YAECTWJJSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide
CID 46855421
N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 102526815
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
CID 44657868
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003

Frequently Asked Questions

What is the IUPAC name of N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline?
The IUPAC name of N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline (CID 102394661) is N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline.
What is the SMILES notation for N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline?
The canonical SMILES for N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline is COc1ccc(N[C@H](/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline?
The InChIKey is NCQJDPPVLLYZNO-YAECTWJJSA-N. The full InChI is InChI=1S/C22H21NO/c1-24-21-15-13-20(14-16-21)23-22(19-10-6-3-7-11-19)17-12-18-8-4-2-5-9-18/h2-17,22-23H,1H3/b17-12+/t22-/m1/s1.
What are the key properties of N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline?
N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline has a molecular weight of 315.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline is sourced from PubChem (CID 102394661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).