2-phenylmethoxy-N-prop-2-enoxyethanamine

C12H17NO2 — CID 130844891

IUPAC2-phenylmethoxy-N-prop-2-enoxyethanamine
SMILESC=CCONCCOCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-9-15-13-8-10-14-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2
InChIKeyQZIXGDXESGALMK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds8

About 2-phenylmethoxy-N-prop-2-enoxyethanamine

2-phenylmethoxy-N-prop-2-enoxyethanamine (PubChem CID 130844891) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-phenylmethoxy-N-prop-2-enoxyethanamine.

Molecular Properties

Compound Name2-phenylmethoxy-N-prop-2-enoxyethanamine
PubChem CID130844891
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-phenylmethoxy-N-prop-2-enoxyethanamine
SMILESC=CCONCCOCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-9-15-13-8-10-14-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2
InChIKeyQZIXGDXESGALMK-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
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4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
CID 114264696
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
2-methylidenebut-3-enoxymethylbenzene
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2-ethenylsulfonylethoxymethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-prop-2-enoxyethanamine?
The IUPAC name of 2-phenylmethoxy-N-prop-2-enoxyethanamine (CID 130844891) is 2-phenylmethoxy-N-prop-2-enoxyethanamine.
What is the SMILES notation for 2-phenylmethoxy-N-prop-2-enoxyethanamine?
The canonical SMILES for 2-phenylmethoxy-N-prop-2-enoxyethanamine is C=CCONCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-prop-2-enoxyethanamine?
The InChIKey is QZIXGDXESGALMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-9-15-13-8-10-14-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2.
What are the key properties of 2-phenylmethoxy-N-prop-2-enoxyethanamine?
2-phenylmethoxy-N-prop-2-enoxyethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-prop-2-enoxyethanamine is sourced from PubChem (CID 130844891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).