4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine

C18H26N2O — CID 143093265

IUPAC4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine
SMILESC=C(C)C(N)Cc1ccc(O)cc1.CC.c1ccncc1
InChIInChI=1S/C11H15NO.C5H5N.C2H6/c1-8(2)11(12)7-9-3-5-10(13)6-4-9;1-2-4-6-5-3-1;1-2/h3-6,11,13H,1,7,12H2,2H3;1-5H;1-2H3
InChIKeyZWEUJAHTSLJJCO-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.95
Rot. Bonds3

About 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine

4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine (PubChem CID 143093265) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine.

Molecular Properties

Compound Name4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine
PubChem CID143093265
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine
SMILESC=C(C)C(N)Cc1ccc(O)cc1.CC.c1ccncc1
InChIInChI=1S/C11H15NO.C5H5N.C2H6/c1-8(2)11(12)7-9-3-5-10(13)6-4-9;1-2-4-6-5-3-1;1-2/h3-6,11,13H,1,7,12H2,2H3;1-5H;1-2H3
InChIKeyZWEUJAHTSLJJCO-UHFFFAOYSA-N
XLogP3.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
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2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-pyridin-4-ylpropanamide
CID 106935047
2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
CID 174728149
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
L-Tyrosine (disodium)
CID 66602062

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine?
The IUPAC name of 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine (CID 143093265) is 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine.
What is the SMILES notation for 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine?
The canonical SMILES for 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine is C=C(C)C(N)Cc1ccc(O)cc1.CC.c1ccncc1.
What is the InChIKey of 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine?
The InChIKey is ZWEUJAHTSLJJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C5H5N.C2H6/c1-8(2)11(12)7-9-3-5-10(13)6-4-9;1-2-4-6-5-3-1;1-2/h3-6,11,13H,1,7,12H2,2H3;1-5H;1-2H3.
What are the key properties of 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine?
4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine is sourced from PubChem (CID 143093265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).