4-[1-(prop-2-enylamino)ethyl]phenol

C11H15NO — CID 43189554

IUPAC4-[1-(prop-2-enylamino)ethyl]phenol
SMILESC=CCNC(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-3-8-12-9(2)10-4-6-11(13)7-5-10/h3-7,9,12-13H,1,8H2,2H3
InChIKeyRSQHVIXFUSDMQL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-(prop-2-enylamino)ethyl]phenol

4-[1-(prop-2-enylamino)ethyl]phenol (PubChem CID 43189554) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[1-(prop-2-enylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(prop-2-enylamino)ethyl]phenol
PubChem CID43189554
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[1-(prop-2-enylamino)ethyl]phenol
SMILESC=CCNC(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-3-8-12-9(2)10-4-6-11(13)7-5-10/h3-7,9,12-13H,1,8H2,2H3
InChIKeyRSQHVIXFUSDMQL-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
CID 143479390
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol
CID 107710273
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
4-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189482
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
CID 62636904
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol
CID 144603163
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830

Frequently Asked Questions

What is the IUPAC name of 4-[1-(prop-2-enylamino)ethyl]phenol?
The IUPAC name of 4-[1-(prop-2-enylamino)ethyl]phenol (CID 43189554) is 4-[1-(prop-2-enylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(prop-2-enylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(prop-2-enylamino)ethyl]phenol is C=CCNC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(prop-2-enylamino)ethyl]phenol?
The InChIKey is RSQHVIXFUSDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-12-9(2)10-4-6-11(13)7-5-10/h3-7,9,12-13H,1,8H2,2H3.
What are the key properties of 4-[1-(prop-2-enylamino)ethyl]phenol?
4-[1-(prop-2-enylamino)ethyl]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(prop-2-enylamino)ethyl]phenol is sourced from PubChem (CID 43189554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).