3-methoxy-2-(2-phenoxyethoxy)propan-1-amine

C12H19NO3 — CID 103227846

IUPAC3-methoxy-2-(2-phenoxyethoxy)propan-1-amine
SMILESCOCC(CN)OCCOc1ccccc1
InChIInChI=1S/C12H19NO3/c1-14-10-12(9-13)16-8-7-15-11-5-3-2-4-6-11/h2-6,12H,7-10,13H2,1H3
InChIKeyJXLHXMFYWCZHRB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.06
Rot. Bonds8

About 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine

3-methoxy-2-(2-phenoxyethoxy)propan-1-amine (PubChem CID 103227846) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(2-phenoxyethoxy)propan-1-amine
PubChem CID103227846
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-methoxy-2-(2-phenoxyethoxy)propan-1-amine
SMILESCOCC(CN)OCCOc1ccccc1
InChIInChI=1S/C12H19NO3/c1-14-10-12(9-13)16-8-7-15-11-5-3-2-4-6-11/h2-6,12H,7-10,13H2,1H3
InChIKeyJXLHXMFYWCZHRB-UHFFFAOYSA-N
XLogP1.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine?
The IUPAC name of 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine (CID 103227846) is 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine is COCC(CN)OCCOc1ccccc1.
What is the InChIKey of 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine?
The InChIKey is JXLHXMFYWCZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-10-12(9-13)16-8-7-15-11-5-3-2-4-6-11/h2-6,12H,7-10,13H2,1H3.
What are the key properties of 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine?
3-methoxy-2-(2-phenoxyethoxy)propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-phenoxyethoxy)propan-1-amine is sourced from PubChem (CID 103227846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).