4-[1-(4-aminophenyl)but-3-enyl]aniline

C16H18N2 — CID 67940159

IUPAC4-[1-(4-aminophenyl)but-3-enyl]aniline
SMILESC=CCC(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H18N2/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h2,4-11,16H,1,3,17-18H2
InChIKeyDTSBPNYADKICKP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.56
Rot. Bonds4

About 4-[1-(4-aminophenyl)but-3-enyl]aniline

4-[1-(4-aminophenyl)but-3-enyl]aniline (PubChem CID 67940159) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)but-3-enyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)but-3-enyl]aniline
PubChem CID67940159
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-[1-(4-aminophenyl)but-3-enyl]aniline
SMILESC=CCC(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H18N2/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h2,4-11,16H,1,3,17-18H2
InChIKeyDTSBPNYADKICKP-UHFFFAOYSA-N
XLogP3.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
4-[1-(4-aminophenyl)prop-2-enyl]aniline
CID 57031806
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
1,1,5,5-tetrakis(4-aminophenyl)pentan-3-one
CID 174920568
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
4-(1-dimethylsilylbut-3-enoxy)aniline
CID 173436135
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461
4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501779
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
4-(4-aminophenyl)aniline;prop-2-enylbenzene
CID 175268611

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)but-3-enyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)but-3-enyl]aniline (CID 67940159) is 4-[1-(4-aminophenyl)but-3-enyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)but-3-enyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)but-3-enyl]aniline is C=CCC(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)but-3-enyl]aniline?
The InChIKey is DTSBPNYADKICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h2,4-11,16H,1,3,17-18H2.
What are the key properties of 4-[1-(4-aminophenyl)but-3-enyl]aniline?
4-[1-(4-aminophenyl)but-3-enyl]aniline has a molecular weight of 238.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)but-3-enyl]aniline is sourced from PubChem (CID 67940159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).