(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine

C13H21NO2 — CID 63639630

IUPAC(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
SMILESCCOCCOc1cc(C)ccc1[C@@H](C)N
InChIInChI=1S/C13H21NO2/c1-4-15-7-8-16-13-9-10(2)5-6-12(13)11(3)14/h5-6,9,11H,4,7-8,14H2,1-3H3/t11-/m1/s1
InChIKeyUELVQPACFWQPDO-LLVKDONJSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds6

About (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine

(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine (PubChem CID 63639630) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
PubChem CID63639630
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
SMILESCCOCCOc1cc(C)ccc1[C@@H](C)N
InChIInChI=1S/C13H21NO2/c1-4-15-7-8-16-13-9-10(2)5-6-12(13)11(3)14/h5-6,9,11H,4,7-8,14H2,1-3H3/t11-/m1/s1
InChIKeyUELVQPACFWQPDO-LLVKDONJSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
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

2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 63639457
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1S)-1-[2-(2-tert-butylsulfanylethoxy)-4-methylphenyl]ethanamine
CID 114271257

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine (CID 63639630) is (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine is CCOCCOc1cc(C)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine?
The InChIKey is UELVQPACFWQPDO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-15-7-8-16-13-9-10(2)5-6-12(13)11(3)14/h5-6,9,11H,4,7-8,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine?
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine is sourced from PubChem (CID 63639630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).