(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine

C14H23NO3 — CID 104647162

IUPAC(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
SMILESCOCCCCOc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO3/c1-11(15)13-7-6-12(17-3)10-14(13)18-9-5-4-8-16-2/h6-7,10-11H,4-5,8-9,15H2,1-3H3/t11-/m1/s1
InChIKeyIHJUOEBIFVKERX-LLVKDONJSA-N
MW253.34 g/mol
LogP2.52
Rot. Bonds8

About (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine

(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine (PubChem CID 104647162) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
PubChem CID104647162
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
SMILESCOCCCCOc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO3/c1-11(15)13-7-6-12(17-3)10-14(13)18-9-5-4-8-16-2/h6-7,10-11H,4-5,8-9,15H2,1-3H3/t11-/m1/s1
InChIKeyIHJUOEBIFVKERX-LLVKDONJSA-N
XLogP2.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.52
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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Related Compounds

1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 82000191
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine (CID 104647162) is (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine is COCCCCOc1cc(OC)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
The InChIKey is IHJUOEBIFVKERX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(15)13-7-6-12(17-3)10-14(13)18-9-5-4-8-16-2/h6-7,10-11H,4-5,8-9,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine is sourced from PubChem (CID 104647162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).