3-[2-(prop-2-ynylamino)ethyl]phenol

C11H13NO — CID 10921791

IUPAC3-[2-(prop-2-ynylamino)ethyl]phenol
SMILESC#CCNCCc1cccc(O)c1
InChIInChI=1S/C11H13NO/c1-2-7-12-8-6-10-4-3-5-11(13)9-10/h1,3-5,9,12-13H,6-8H2
InChIKeyBYZXZKHEDRHOEE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds4

About 3-[2-(prop-2-ynylamino)ethyl]phenol

3-[2-(prop-2-ynylamino)ethyl]phenol (PubChem CID 10921791) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[2-(prop-2-ynylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(prop-2-ynylamino)ethyl]phenol
PubChem CID10921791
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-[2-(prop-2-ynylamino)ethyl]phenol
SMILESC#CCNCCc1cccc(O)c1
InChIInChI=1S/C11H13NO/c1-2-7-12-8-6-10-4-3-5-11(13)9-10/h1,3-5,9,12-13H,6-8H2
InChIKeyBYZXZKHEDRHOEE-UHFFFAOYSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride
CID 17332734
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
CID 21152964
3-[2-(3-ethynylanilino)ethyl]phenol
CID 175469340
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
2-(3-hydroxyphenyl)ethyl-prop-2-ynylazanium chloride
CID 10921790
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
[3-[2-(prop-2-ynylamino)ethyl]phenyl] N-methyl-N-propylcarbamate
CID 10924975
N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
CID 60687940
3-[2-[6-[2-(4-chlorophenyl)ethylamino]hexylamino]ethyl]phenol;hydrobromide
CID 44522479
3-ethynyl-5-[2-(prop-2-ynylamino)ethyl]benzene-1,2-diol
CID 146368679
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924

Frequently Asked Questions

What is the IUPAC name of 3-[2-(prop-2-ynylamino)ethyl]phenol?
The IUPAC name of 3-[2-(prop-2-ynylamino)ethyl]phenol (CID 10921791) is 3-[2-(prop-2-ynylamino)ethyl]phenol.
What is the SMILES notation for 3-[2-(prop-2-ynylamino)ethyl]phenol?
The canonical SMILES for 3-[2-(prop-2-ynylamino)ethyl]phenol is C#CCNCCc1cccc(O)c1.
What is the InChIKey of 3-[2-(prop-2-ynylamino)ethyl]phenol?
The InChIKey is BYZXZKHEDRHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-7-12-8-6-10-4-3-5-11(13)9-10/h1,3-5,9,12-13H,6-8H2.
What are the key properties of 3-[2-(prop-2-ynylamino)ethyl]phenol?
3-[2-(prop-2-ynylamino)ethyl]phenol has a molecular weight of 175.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(prop-2-ynylamino)ethyl]phenol is sourced from PubChem (CID 10921791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).