1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine

C16H25NO — CID 60887233

IUPAC1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
SMILESC/C=C/COc1ccc(C(CC)NCCC)cc1
InChIInChI=1S/C16H25NO/c1-4-7-13-18-15-10-8-14(9-11-15)16(6-3)17-12-5-2/h4,7-11,16-17H,5-6,12-13H2,1-3H3/b7-4+
InChIKeyCSULMNNNMAQGTH-QPJJXVBHSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds8

About 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine

1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine (PubChem CID 60887233) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
PubChem CID60887233
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
SMILESC/C=C/COc1ccc(C(CC)NCCC)cc1
InChIInChI=1S/C16H25NO/c1-4-7-13-18-15-10-8-14(9-11-15)16(6-3)17-12-5-2/h4,7-11,16-17H,5-6,12-13H2,1-3H3/b7-4+
InChIKeyCSULMNNNMAQGTH-QPJJXVBHSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
CID 78934082
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
N,N-dimethyl-2-[4-[1-(propylamino)propyl]phenoxy]acetamide
CID 43280198
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
2,2-dimethyl-4-[4-[1-(propylamino)propyl]phenoxy]butanenitrile
CID 65246755
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60888596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine (CID 60887233) is 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine is C/C=C/COc1ccc(C(CC)NCCC)cc1.
What is the InChIKey of 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine?
The InChIKey is CSULMNNNMAQGTH-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-7-13-18-15-10-8-14(9-11-15)16(6-3)17-12-5-2/h4,7-11,16-17H,5-6,12-13H2,1-3H3/b7-4+.
What are the key properties of 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine?
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 60887233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).