N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine

C16H25NO — CID 107095208

IUPACN-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
SMILESC=CCCOCCNCCC(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-4-13-18-14-12-17-11-10-15(2)16-8-6-5-7-9-16/h3,5-9,15,17H,1,4,10-14H2,2H3
InChIKeyVCJBWGYPKIVGPP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine

N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine (PubChem CID 107095208) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
PubChem CID107095208
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
SMILESC=CCCOCCNCCC(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-4-13-18-14-12-17-11-10-15(2)16-8-6-5-7-9-16/h3,5-9,15,17H,1,4,10-14H2,2H3
InChIKeyVCJBWGYPKIVGPP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
benzyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401798
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine (CID 107095208) is N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine is C=CCCOCCNCCC(C)c1ccccc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine?
The InChIKey is VCJBWGYPKIVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-13-18-14-12-17-11-10-15(2)16-8-6-5-7-9-16/h3,5-9,15,17H,1,4,10-14H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine?
N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 107095208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).