2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine

C13H19NO — CID 63326191

IUPAC2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
SMILESC=CC(C)Oc1ccc(C)cc1CCN
InChIInChI=1S/C13H19NO/c1-4-11(3)15-13-6-5-10(2)9-12(13)7-8-14/h4-6,9,11H,1,7-8,14H2,2-3H3
InChIKeyWKZLXLRQXDGHFI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine

2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine (PubChem CID 63326191) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
PubChem CID63326191
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
SMILESC=CC(C)Oc1ccc(C)cc1CCN
InChIInChI=1S/C13H19NO/c1-4-11(3)15-13-6-5-10(2)9-12(13)7-8-14/h4-6,9,11H,1,7-8,14H2,2-3H3
InChIKeyWKZLXLRQXDGHFI-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.45
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

N-[(2-but-3-en-2-yloxy-5-methylphenyl)methyl]propan-2-amine
CID 63323315
2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
CID 62384351
(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
CID 62387607
(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
CID 62389675
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
CID 62382500
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
CID 63326228
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine (CID 63326191) is 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine is C=CC(C)Oc1ccc(C)cc1CCN.
What is the InChIKey of 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine?
The InChIKey is WKZLXLRQXDGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(3)15-13-6-5-10(2)9-12(13)7-8-14/h4-6,9,11H,1,7-8,14H2,2-3H3.
What are the key properties of 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine?
2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 63326191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).