N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline

C17H19N — CID 10728588

IUPACN,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/Cc2ccccc2)cc1
InChIInChI=1S/C17H19N/c1-18(2)17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h3-8,10-14H,9H2,1-2H3/b10-6+
InChIKeyLIQDESYGOCUKGN-UXBLZVDNSA-N
MW237.35 g/mol
LogP4.01
Rot. Bonds4

About N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline

N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline (PubChem CID 10728588) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
PubChem CID10728588
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/Cc2ccccc2)cc1
InChIInChI=1S/C17H19N/c1-18(2)17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h3-8,10-14H,9H2,1-2H3/b10-6+
InChIKeyLIQDESYGOCUKGN-UXBLZVDNSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine
CID 2473929
2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
CID 40514905
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline (CID 10728588) is N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline is CN(C)c1ccc(/C=C/Cc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline?
The InChIKey is LIQDESYGOCUKGN-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H19N/c1-18(2)17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h3-8,10-14H,9H2,1-2H3/b10-6+.
What are the key properties of N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline?
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline has a molecular weight of 237.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline is sourced from PubChem (CID 10728588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).