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

C17H25NO2 — CID 103845579

IUPAC2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol
SMILESC#CCOc1ccccc1CNCC(CC)(CC)CO
InChIInChI=1S/C17H25NO2/c1-4-11-20-16-10-8-7-9-15(16)12-18-13-17(5-2,6-3)14-19/h1,7-10,18-19H,5-6,11-14H2,2-3H3
InChIKeyOOXLIBQZYJYKAG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.59
Rot. Bonds9

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

2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol (PubChem CID 103845579) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol
PubChem CID103845579
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol
SMILESC#CCOc1ccccc1CNCC(CC)(CC)CO
InChIInChI=1S/C17H25NO2/c1-4-11-20-16-10-8-7-9-15(16)12-18-13-17(5-2,6-3)14-19/h1,7-10,18-19H,5-6,11-14H2,2-3H3
InChIKeyOOXLIBQZYJYKAG-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.59
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-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 28725565
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
CID 28607461
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]but-2-en-1-amine
CID 103527938
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 43078385
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
2-methyl-3-[(2-prop-2-ynoxyphenyl)methylamino]propanenitrile
CID 62646548
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol (CID 103845579) is 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol is C#CCOc1ccccc1CNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol?
The InChIKey is OOXLIBQZYJYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-11-20-16-10-8-7-9-15(16)12-18-13-17(5-2,6-3)14-19/h1,7-10,18-19H,5-6,11-14H2,2-3H3.
What are the key properties of 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 103845579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).