1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

C16H21NO2 — CID 115890011

IUPAC1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CNC(C)C1CCOC1
InChIInChI=1S/C16H21NO2/c1-3-9-19-16-7-5-4-6-14(16)11-17-13(2)15-8-10-18-12-15/h1,4-7,13,15,17H,8-12H2,2H3
InChIKeyOJNFAUOZIHSZGU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.21
Rot. Bonds6

About 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (PubChem CID 115890011) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
PubChem CID115890011
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CNC(C)C1CCOC1
InChIInChI=1S/C16H21NO2/c1-3-9-19-16-7-5-4-6-14(16)11-17-13(2)15-8-10-18-12-15/h1,4-7,13,15,17H,8-12H2,2H3
InChIKeyOJNFAUOZIHSZGU-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
CID 43221810
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
3-[(2-prop-2-ynoxyphenyl)methylamino]butanamide
CID 113250252

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (CID 115890011) is 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is C#CCOc1ccccc1CNC(C)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The InChIKey is OJNFAUOZIHSZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-9-19-16-7-5-4-6-14(16)11-17-13(2)15-8-10-18-12-15/h1,4-7,13,15,17H,8-12H2,2H3.
What are the key properties of 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115890011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).