2-[4-(but-3-enoxymethyl)phenyl]ethanamine

C13H19NO — CID 105348936

IUPAC2-[4-(but-3-enoxymethyl)phenyl]ethanamine
SMILESC=CCCOCc1ccc(CCN)cc1
InChIInChI=1S/C13H19NO/c1-2-3-10-15-11-13-6-4-12(5-7-13)8-9-14/h2,4-7H,1,3,8-11,14H2
InChIKeyXEJILNPGEVGHNB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-(but-3-enoxymethyl)phenyl]ethanamine

2-[4-(but-3-enoxymethyl)phenyl]ethanamine (PubChem CID 105348936) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[4-(but-3-enoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(but-3-enoxymethyl)phenyl]ethanamine
PubChem CID105348936
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[4-(but-3-enoxymethyl)phenyl]ethanamine
SMILESC=CCCOCc1ccc(CCN)cc1
InChIInChI=1S/C13H19NO/c1-2-3-10-15-11-13-6-4-12(5-7-13)8-9-14/h2,4-7H,1,3,8-11,14H2
InChIKeyXEJILNPGEVGHNB-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.28
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

(5-Phenyloxolan-2-yl)methanamine
CID 11571886
2-(Diphenylmethoxy)ethylamine
CID 36060
2-Aminomethyl-5-(p-t-butylphenyl)tetrahydrofuran
CID 11651575
1-(Benzyloxy)propan-2-amine
CID 296020
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-2-phenylethan-1-amine
CID 409782
4-(Benzyloxy)butan-1-amine
CID 18322329
2-(Benzyloxy)ethanamine
CID 533868
2-(Benzyloxy)propan-1-amine
CID 296015
1-Benzyloxyhexadecan-2-amine
CID 24936444
2-(Diphenylmethoxy)ethan-1-amine--hydrogen chloride (1/1)
CID 36059
(3-(Methoxymethyl)phenyl)methanamine
CID 16787292

Frequently Asked Questions

What is the IUPAC name of 2-[4-(but-3-enoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(but-3-enoxymethyl)phenyl]ethanamine (CID 105348936) is 2-[4-(but-3-enoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(but-3-enoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(but-3-enoxymethyl)phenyl]ethanamine is C=CCCOCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(but-3-enoxymethyl)phenyl]ethanamine?
The InChIKey is XEJILNPGEVGHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-10-15-11-13-6-4-12(5-7-13)8-9-14/h2,4-7H,1,3,8-11,14H2.
What are the key properties of 2-[4-(but-3-enoxymethyl)phenyl]ethanamine?
2-[4-(but-3-enoxymethyl)phenyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(but-3-enoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 105348936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).