1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine

C24H35NO2 — CID 54803574

IUPAC1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCCCCCCCCOc1c(CNCc2ccccc2C)cccc1OC
InChIInChI=1S/C24H35NO2/c1-4-5-6-7-8-11-17-27-24-22(15-12-16-23(24)26-3)19-25-18-21-14-10-9-13-20(21)2/h9-10,12-16,25H,4-8,11,17-19H2,1-3H3
InChIKeyJEPMICUOFHONDX-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.03
Rot. Bonds13

About 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine

1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 54803574) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
PubChem CID54803574
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCCCCCCCCOc1c(CNCc2ccccc2C)cccc1OC
InChIInChI=1S/C24H35NO2/c1-4-5-6-7-8-11-17-27-24-22(15-12-16-23(24)26-3)19-25-18-21-14-10-9-13-20(21)2/h9-10,12-16,25H,4-8,11,17-19H2,1-3H3
InChIKeyJEPMICUOFHONDX-UHFFFAOYSA-N
XLogP6.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.03
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-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
1-(4-tert-butylphenyl)-N-[(2-hexoxy-3-methoxyphenyl)methyl]methanamine
CID 54804594
N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine (CID 54803574) is 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine is CCCCCCCCOc1c(CNCc2ccccc2C)cccc1OC.
What is the InChIKey of 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is JEPMICUOFHONDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-4-5-6-7-8-11-17-27-24-22(15-12-16-23(24)26-3)19-25-18-21-14-10-9-13-20(21)2/h9-10,12-16,25H,4-8,11,17-19H2,1-3H3.
What are the key properties of 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 369.55 g/mol, XLogP of 6.03, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 54803574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).