4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine

C16H25NO — CID 79590058

IUPAC4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine
SMILESCCCNCCC=Cc1ccc(OCCC)cc1
InChIInChI=1S/C16H25NO/c1-3-12-17-13-6-5-7-15-8-10-16(11-9-15)18-14-4-2/h5,7-11,17H,3-4,6,12-14H2,1-2H3
InChIKeyWEVNCIFXSZKORN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds9

About 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine

4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine (PubChem CID 79590058) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine
PubChem CID79590058
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine
SMILESCCCNCCC=Cc1ccc(OCCC)cc1
InChIInChI=1S/C16H25NO/c1-3-12-17-13-6-5-7-15-8-10-16(11-9-15)18-14-4-2/h5,7-11,17H,3-4,6,12-14H2,1-2H3
InChIKeyWEVNCIFXSZKORN-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobut-1-enyl)-4-propoxybenzene
CID 79604035
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348223
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindole-1,3-dione
CID 10544771
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
CID 169474720
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
3-[4-[2-(methylamino)ethoxy]phenyl]prop-2-enal
CID 140994421

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine (CID 79590058) is 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine is CCCNCCC=Cc1ccc(OCCC)cc1.
What is the InChIKey of 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine?
The InChIKey is WEVNCIFXSZKORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12-17-13-6-5-7-15-8-10-16(11-9-15)18-14-4-2/h5,7-11,17H,3-4,6,12-14H2,1-2H3.
What are the key properties of 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine?
4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79590058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).