4-[(E)-3-(methylamino)but-1-enyl]phenol

C11H15NO — CID 103092127

IUPAC4-[(E)-3-(methylamino)but-1-enyl]phenol
SMILESCNC(C)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-9(12-2)3-4-10-5-7-11(13)8-6-10/h3-9,12-13H,1-2H3/b4-3+
InChIKeyAQZKTWPDZQOPHT-ONEGZZNKSA-N
MW177.25 g/mol
LogP2.01
Rot. Bonds3

About 4-[(E)-3-(methylamino)but-1-enyl]phenol

4-[(E)-3-(methylamino)but-1-enyl]phenol (PubChem CID 103092127) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(E)-3-(methylamino)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-3-(methylamino)but-1-enyl]phenol
PubChem CID103092127
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(E)-3-(methylamino)but-1-enyl]phenol
SMILESCNC(C)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-9(12-2)3-4-10-5-7-11(13)8-6-10/h3-9,12-13H,1-2H3/b4-3+
InChIKeyAQZKTWPDZQOPHT-ONEGZZNKSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylbut-1-enyl)phenol
CID 57250794
(E)-4-(3-bromo-4-chlorophenyl)-N-methylbut-3-en-2-amine
CID 103091980
(E)-4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-2-amine
CID 103092177
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
(E)-N-methyl-4-(3,4,5-trifluorophenyl)but-3-en-2-amine
CID 103092004
(E)-4-(3,5-dichlorophenyl)-N-methylbut-3-en-2-amine
CID 103092077
4-ethenylphenol;propan-2-ol
CID 159910746
(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine
CID 54775752
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
2-methoxy-5-[(E)-3-(methylamino)but-1-enyl]benzonitrile
CID 103092018
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(methylamino)but-1-enyl]phenol?
The IUPAC name of 4-[(E)-3-(methylamino)but-1-enyl]phenol (CID 103092127) is 4-[(E)-3-(methylamino)but-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-3-(methylamino)but-1-enyl]phenol?
The canonical SMILES for 4-[(E)-3-(methylamino)but-1-enyl]phenol is CNC(C)/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-3-(methylamino)but-1-enyl]phenol?
The InChIKey is AQZKTWPDZQOPHT-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(12-2)3-4-10-5-7-11(13)8-6-10/h3-9,12-13H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-(methylamino)but-1-enyl]phenol?
4-[(E)-3-(methylamino)but-1-enyl]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(methylamino)but-1-enyl]phenol is sourced from PubChem (CID 103092127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).