2-[4-(2-methoxyethoxy)phenyl]propan-2-amine

C12H19NO2 — CID 95440689

IUPAC2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
SMILESCOCCOc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,13)10-4-6-11(7-5-10)15-9-8-14-3/h4-7H,8-9,13H2,1-3H3
InChIKeyJPCMPMJTPVAPSF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine

2-[4-(2-methoxyethoxy)phenyl]propan-2-amine (PubChem CID 95440689) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
PubChem CID95440689
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
SMILESCOCCOc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,13)10-4-6-11(7-5-10)15-9-8-14-3/h4-7H,8-9,13H2,1-3H3
InChIKeyJPCMPMJTPVAPSF-UHFFFAOYSA-N
XLogP1.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine (CID 95440689) is 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine is COCCOc1ccc(C(C)(C)N)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine?
The InChIKey is JPCMPMJTPVAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,13)10-4-6-11(7-5-10)15-9-8-14-3/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine?
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 95440689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).