4-[(E)-2-(4-propylphenyl)ethenyl]aniline

C17H19N — CID 143367381

IUPAC4-[(E)-2-(4-propylphenyl)ethenyl]aniline
SMILESCCCc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C17H19N/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h4-13H,2-3,18H2,1H3/b9-8+
InChIKeyRLKUUHUAHWKMJU-CMDGGOBGSA-N
MW237.35 g/mol
LogP4.39
Rot. Bonds4

About 4-[(E)-2-(4-propylphenyl)ethenyl]aniline

4-[(E)-2-(4-propylphenyl)ethenyl]aniline (PubChem CID 143367381) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[(E)-2-(4-propylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-propylphenyl)ethenyl]aniline
PubChem CID143367381
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-[(E)-2-(4-propylphenyl)ethenyl]aniline
SMILESCCCc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C17H19N/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h4-13H,2-3,18H2,1H3/b9-8+
InChIKeyRLKUUHUAHWKMJU-CMDGGOBGSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
4-propylthiobenzaldehyde
CID 19091704
methanol;(E)-3-(4-propylphenyl)prop-2-enal
CID 143472715
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[(E)-prop-1-enyl]aniline;hydrochloride
CID 119031382
tert-butyl carbamate;4-propylaniline
CID 174513475
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-propylphenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-propylphenyl)ethenyl]aniline (CID 143367381) is 4-[(E)-2-(4-propylphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-propylphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-propylphenyl)ethenyl]aniline is CCCc1ccc(/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-propylphenyl)ethenyl]aniline?
The InChIKey is RLKUUHUAHWKMJU-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19N/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h4-13H,2-3,18H2,1H3/b9-8+.
What are the key properties of 4-[(E)-2-(4-propylphenyl)ethenyl]aniline?
4-[(E)-2-(4-propylphenyl)ethenyl]aniline has a molecular weight of 237.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-propylphenyl)ethenyl]aniline is sourced from PubChem (CID 143367381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).