N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine

C20H35NO3 — CID 54807521

IUPACN-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1cccc(OC)c1OCCOCC
InChIInChI=1S/C20H35NO3/c1-4-6-7-8-9-10-14-21-17-18-12-11-13-19(22-3)20(18)24-16-15-23-5-2/h11-13,21H,4-10,14-17H2,1-3H3
InChIKeyIAVZGUPXQUONGH-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.56
Rot. Bonds15

About N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine

N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine (PubChem CID 54807521) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
PubChem CID54807521
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC NameN-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1cccc(OC)c1OCCOCC
InChIInChI=1S/C20H35NO3/c1-4-6-7-8-9-10-14-21-17-18-12-11-13-19(22-3)20(18)24-16-15-23-5-2/h11-13,21H,4-10,14-17H2,1-3H3
InChIKeyIAVZGUPXQUONGH-UHFFFAOYSA-N
XLogP4.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.56
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-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 7991094
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 54848998
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine (CID 54807521) is N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine is CCCCCCCCNCc1cccc(OC)c1OCCOCC.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine?
The InChIKey is IAVZGUPXQUONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-4-6-7-8-9-10-14-21-17-18-12-11-13-19(22-3)20(18)24-16-15-23-5-2/h11-13,21H,4-10,14-17H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine?
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine has a molecular weight of 337.50 g/mol, XLogP of 4.56, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine is sourced from PubChem (CID 54807521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).