3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline

C21H25N — CID 138613131

IUPAC3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline
SMILESC=C(C)c1cc(N)ccc1/C=C(\C)c1cccc(CCC)c1
InChIInChI=1S/C21H25N/c1-5-7-17-8-6-9-18(13-17)16(4)12-19-10-11-20(22)14-21(19)15(2)3/h6,8-14H,2,5,7,22H2,1,3-4H3/b16-12+
InChIKeyOTADHJPTZPFSOS-FOWTUZBSSA-N
MW291.44 g/mol
LogP5.81
Rot. Bonds5

About 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline

3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline (PubChem CID 138613131) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline.

Molecular Properties

Compound Name3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline
PubChem CID138613131
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline
SMILESC=C(C)c1cc(N)ccc1/C=C(\C)c1cccc(CCC)c1
InChIInChI=1S/C21H25N/c1-5-7-17-8-6-9-18(13-17)16(4)12-19-10-11-20(22)14-21(19)15(2)3/h6,8-14H,2,5,7,22H2,1,3-4H3/b16-12+
InChIKeyOTADHJPTZPFSOS-FOWTUZBSSA-N
XLogP5.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.81
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

1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
CID 144542813
1-buta-1,3-dien-2-yl-3-propylbenzene
CID 140596687
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
ethane;3-propylaniline;vanadium
CID 143596420
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
2-(aminomethyl)-2-ethyl-1-(3-propylphenyl)butan-1-one
CID 116603848
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline?
The IUPAC name of 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline (CID 138613131) is 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline.
What is the SMILES notation for 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline?
The canonical SMILES for 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline is C=C(C)c1cc(N)ccc1/C=C(\C)c1cccc(CCC)c1.
What is the InChIKey of 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline?
The InChIKey is OTADHJPTZPFSOS-FOWTUZBSSA-N. The full InChI is InChI=1S/C21H25N/c1-5-7-17-8-6-9-18(13-17)16(4)12-19-10-11-20(22)14-21(19)15(2)3/h6,8-14H,2,5,7,22H2,1,3-4H3/b16-12+.
What are the key properties of 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline?
3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline has a molecular weight of 291.44 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline is sourced from PubChem (CID 138613131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).