1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine

C14H23NO3 — CID 54936626

IUPAC1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
SMILESCOCCCOCc1cc(C(C)N)ccc1OC
InChIInChI=1S/C14H23NO3/c1-11(15)12-5-6-14(17-3)13(9-12)10-18-8-4-7-16-2/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeyARYDGYVCGSGBOU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.27
Rot. Bonds8

About 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine

1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine (PubChem CID 54936626) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
PubChem CID54936626
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
SMILESCOCCCOCc1cc(C(C)N)ccc1OC
InChIInChI=1S/C14H23NO3/c1-11(15)12-5-6-14(17-3)13(9-12)10-18-8-4-7-16-2/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeyARYDGYVCGSGBOU-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
CID 62018577
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414
4-methoxy-3-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177614
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
CID 106200766
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine (CID 54936626) is 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine is COCCCOCc1cc(C(C)N)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine?
The InChIKey is ARYDGYVCGSGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(15)12-5-6-14(17-3)13(9-12)10-18-8-4-7-16-2/h5-6,9,11H,4,7-8,10,15H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine?
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 54936626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).