2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol

C14H19NO2 — CID 28725565

IUPAC2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol
SMILESC#CCOc1ccccc1CNC(C)(C)CO
InChIInChI=1S/C14H19NO2/c1-4-9-17-13-8-6-5-7-12(13)10-15-14(2,3)11-16/h1,5-8,15-16H,9-11H2,2-3H3
InChIKeyQCZMLHMVDQVGFK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.56
Rot. Bonds6

About 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol

2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol (PubChem CID 28725565) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol
PubChem CID28725565
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol
SMILESC#CCOc1ccccc1CNC(C)(C)CO
InChIInChI=1S/C14H19NO2/c1-4-9-17-13-8-6-5-7-12(13)10-15-14(2,3)11-16/h1,5-8,15-16H,9-11H2,2-3H3
InChIKeyQCZMLHMVDQVGFK-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propane-1,3-diol
CID 107864893
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol
CID 103845579
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]but-2-en-1-amine
CID 103527938
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 2990447
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
CID 28607461
4-bromo-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28616119
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol (CID 28725565) is 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol is C#CCOc1ccccc1CNC(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol?
The InChIKey is QCZMLHMVDQVGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-9-17-13-8-6-5-7-12(13)10-15-14(2,3)11-16/h1,5-8,15-16H,9-11H2,2-3H3.
What are the key properties of 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol?
2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 28725565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).