(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine

C13H21NO2 — CID 79004773

IUPAC(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
SMILESCCOCCCOc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H21NO2/c1-3-15-9-6-10-16-13-8-5-4-7-12(13)11(2)14/h4-5,7-8,11H,3,6,9-10,14H2,1-2H3/t11-/m1/s1
InChIKeyDOBKBLSDYPGRHI-LLVKDONJSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds7

About (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine

(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine (PubChem CID 79004773) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
PubChem CID79004773
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
SMILESCCOCCCOc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H21NO2/c1-3-15-9-6-10-16-13-8-5-4-7-12(13)11(2)14/h4-5,7-8,11H,3,6,9-10,14H2,1-2H3/t11-/m1/s1
InChIKeyDOBKBLSDYPGRHI-LLVKDONJSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
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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Related Compounds

(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353725
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine (CID 79004773) is (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine is CCOCCCOc1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine?
The InChIKey is DOBKBLSDYPGRHI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-15-9-6-10-16-13-8-5-4-7-12(13)11(2)14/h4-5,7-8,11H,3,6,9-10,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine?
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine is sourced from PubChem (CID 79004773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).