2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine

C18H31NO2 — CID 63485820

IUPAC2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
SMILESCCCCCCCCOc1ccccc1CNCCOC
InChIInChI=1S/C18H31NO2/c1-3-4-5-6-7-10-14-21-18-12-9-8-11-17(18)16-19-13-15-20-2/h8-9,11-12,19H,3-7,10,13-16H2,1-2H3
InChIKeyIDYJRVBGGVMESI-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.16
Rot. Bonds13

About 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine

2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine (PubChem CID 63485820) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
PubChem CID63485820
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
SMILESCCCCCCCCOc1ccccc1CNCCOC
InChIInChI=1S/C18H31NO2/c1-3-4-5-6-7-10-14-21-18-12-9-8-11-17(18)16-19-13-15-20-2/h8-9,11-12,19H,3-7,10,13-16H2,1-2H3
InChIKeyIDYJRVBGGVMESI-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.16
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

N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine (CID 63485820) is 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine is CCCCCCCCOc1ccccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine?
The InChIKey is IDYJRVBGGVMESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-4-5-6-7-10-14-21-18-12-9-8-11-17(18)16-19-13-15-20-2/h8-9,11-12,19H,3-7,10,13-16H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine?
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.16, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63485820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).