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

C11H13NO — CID 43189482

IUPAC4-[1-(prop-2-ynylamino)ethyl]phenol
SMILESC#CCNC(C)c1ccc(O)cc1
InChIInChI=1S/C11H13NO/c1-3-8-12-9(2)10-4-6-11(13)7-5-10/h1,4-7,9,12-13H,8H2,2H3
InChIKeyOTCXHWPYKOWJQA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds3

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

4-[1-(prop-2-ynylamino)ethyl]phenol (PubChem CID 43189482) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-[1-(prop-2-ynylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(prop-2-ynylamino)ethyl]phenol
PubChem CID43189482
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-[1-(prop-2-ynylamino)ethyl]phenol
SMILESC#CCNC(C)c1ccc(O)cc1
InChIInChI=1S/C11H13NO/c1-3-8-12-9(2)10-4-6-11(13)7-5-10/h1,4-7,9,12-13H,8H2,2H3
InChIKeyOTCXHWPYKOWJQA-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-nitrophenyl)ethyl]prop-2-yn-1-amine
CID 43297240
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
CID 143479390
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
CID 62636904

Frequently Asked Questions

What is the IUPAC name of 4-[1-(prop-2-ynylamino)ethyl]phenol?
The IUPAC name of 4-[1-(prop-2-ynylamino)ethyl]phenol (CID 43189482) is 4-[1-(prop-2-ynylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(prop-2-ynylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(prop-2-ynylamino)ethyl]phenol is C#CCNC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(prop-2-ynylamino)ethyl]phenol?
The InChIKey is OTCXHWPYKOWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-12-9(2)10-4-6-11(13)7-5-10/h1,4-7,9,12-13H,8H2,2H3.
What are the key properties of 4-[1-(prop-2-ynylamino)ethyl]phenol?
4-[1-(prop-2-ynylamino)ethyl]phenol has a molecular weight of 175.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(prop-2-ynylamino)ethyl]phenol is sourced from PubChem (CID 43189482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).