3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine

C16H27NO3 — CID 43514919

IUPAC3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCOCCCNC(C)c1ccc(OC)c(COC)c1
InChIInChI=1S/C16H27NO3/c1-5-20-10-6-9-17-13(2)14-7-8-16(19-4)15(11-14)12-18-3/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3
InChIKeyUTBZWJQMBHJVEV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds10

About 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine

3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 43514919) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID43514919
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCOCCCNC(C)c1ccc(OC)c(COC)c1
InChIInChI=1S/C16H27NO3/c1-5-20-10-6-9-17-13(2)14-7-8-16(19-4)15(11-14)12-18-3/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3
InChIKeyUTBZWJQMBHJVEV-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
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

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfinylpropan-1-amine
CID 115721031
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
CID 106235133
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine (CID 43514919) is 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine is CCOCCCNC(C)c1ccc(OC)c(COC)c1.
What is the InChIKey of 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is UTBZWJQMBHJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-20-10-6-9-17-13(2)14-7-8-16(19-4)15(11-14)12-18-3/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine?
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43514919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).