(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine

C12H19NO2 — CID 65369462

IUPAC(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
SMILESCCOCOc1ccccc1[C@H](N)CC
InChIInChI=1S/C12H19NO2/c1-3-11(13)10-7-5-6-8-12(10)15-9-14-4-2/h5-8,11H,3-4,9,13H2,1-2H3/t11-/m1/s1
InChIKeyORRRJPPOKZZECL-LLVKDONJSA-N
MW209.29 g/mol
LogP2.47
Rot. Bonds6

About (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine

(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine (PubChem CID 65369462) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
PubChem CID65369462
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
SMILESCCOCOc1ccccc1[C@H](N)CC
InChIInChI=1S/C12H19NO2/c1-3-11(13)10-7-5-6-8-12(10)15-9-14-4-2/h5-8,11H,3-4,9,13H2,1-2H3/t11-/m1/s1
InChIKeyORRRJPPOKZZECL-LLVKDONJSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932557
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine (CID 65369462) is (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine is CCOCOc1ccccc1[C@H](N)CC.
What is the InChIKey of (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine?
The InChIKey is ORRRJPPOKZZECL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-11(13)10-7-5-6-8-12(10)15-9-14-4-2/h5-8,11H,3-4,9,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine?
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 65369462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).