2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine

C14H21NO — CID 105348956

IUPAC2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
SMILESC=CCCOCc1ccc(CCNC)cc1
InChIInChI=1S/C14H21NO/c1-3-4-11-16-12-14-7-5-13(6-8-14)9-10-15-2/h3,5-8,15H,1,4,9-12H2,2H3
InChIKeyVVRIUPRILDIMGG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds8

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

2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine (PubChem CID 105348956) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
PubChem CID105348956
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
SMILESC=CCCOCc1ccc(CCNC)cc1
InChIInChI=1S/C14H21NO/c1-3-4-11-16-12-14-7-5-13(6-8-14)9-10-15-2/h3,5-8,15H,1,4,9-12H2,2H3
InChIKeyVVRIUPRILDIMGG-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
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

N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
2-[4-(but-3-enoxymethyl)phenyl]ethanamine
CID 105348936
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine
CID 105351103
1-[3-(but-3-enoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107456756
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
1-(but-3-enoxymethyl)-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]phenyl]benzene
CID 67677298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine (CID 105348956) is 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine is C=CCCOCc1ccc(CCNC)cc1.
What is the InChIKey of 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine?
The InChIKey is VVRIUPRILDIMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-11-16-12-14-7-5-13(6-8-14)9-10-15-2/h3,5-8,15H,1,4,9-12H2,2H3.
What are the key properties of 2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine?
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.54, 8 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]-N-methylethanamine is sourced from PubChem (CID 105348956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).