3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol

C12H15NO — CID 10944133

IUPAC3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol
SMILESC#CCN(C)CCc1cccc(O)c1
InChIInChI=1S/C12H15NO/c1-3-8-13(2)9-7-11-5-4-6-12(14)10-11/h1,4-6,10,14H,7-9H2,2H3
InChIKeyADEGSDRAQWTWTK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.50
Rot. Bonds4

About 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol

3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol (PubChem CID 10944133) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol
PubChem CID10944133
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol
SMILESC#CCN(C)CCc1cccc(O)c1
InChIInChI=1S/C12H15NO/c1-3-8-13(2)9-7-11-5-4-6-12(14)10-11/h1,4-6,10,14H,7-9H2,2H3
InChIKeyADEGSDRAQWTWTK-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol?
The IUPAC name of 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol (CID 10944133) is 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol?
The canonical SMILES for 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol is C#CCN(C)CCc1cccc(O)c1.
What is the InChIKey of 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol?
The InChIKey is ADEGSDRAQWTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-8-13(2)9-7-11-5-4-6-12(14)10-11/h1,4-6,10,14H,7-9H2,2H3.
What are the key properties of 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol?
3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol has a molecular weight of 189.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenol is sourced from PubChem (CID 10944133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).