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

C12H15NO2 — CID 43189507

IUPAC4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
SMILESC#CCNC(C)c1cc(OC)ccc1O
InChIInChI=1S/C12H15NO2/c1-4-7-13-9(2)11-8-10(15-3)5-6-12(11)14/h1,5-6,8-9,13-14H,7H2,2-3H3
InChIKeyOAQANTFFFQFIAB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds4

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

4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol (PubChem CID 43189507) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
PubChem CID43189507
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
SMILESC#CCNC(C)c1cc(OC)ccc1O
InChIInChI=1S/C12H15NO2/c1-4-7-13-9(2)11-8-10(15-3)5-6-12(11)14/h1,5-6,8-9,13-14H,7H2,2-3H3
InChIKeyOAQANTFFFQFIAB-UHFFFAOYSA-N
XLogP1.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
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CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
CID 79548207
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
CID 113429395
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
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ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol (CID 43189507) is 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol is C#CCNC(C)c1cc(OC)ccc1O.
What is the InChIKey of 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol?
The InChIKey is OAQANTFFFQFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-7-13-9(2)11-8-10(15-3)5-6-12(11)14/h1,5-6,8-9,13-14H,7H2,2-3H3.
What are the key properties of 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol?
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol has a molecular weight of 205.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol is sourced from PubChem (CID 43189507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).