5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine

C15H25NO2 — CID 62516781

IUPAC5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
SMILESCNCC(CCCOC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-16-12-14(5-4-10-17-2)11-13-6-8-15(18-3)9-7-13/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyKHOMAJBZILLQOD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds9

About 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine

5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine (PubChem CID 62516781) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
PubChem CID62516781
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
SMILESCNCC(CCCOC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-16-12-14(5-4-10-17-2)11-13-6-8-15(18-3)9-7-13/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyKHOMAJBZILLQOD-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
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

2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-[2-(chloromethyl)-5-methoxypentyl]-4-methoxybenzene
CID 66034598
1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
CID 104650707
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
2-[(4-methoxyphenyl)methyl]-N-methyl-4-propylsulfonylbutan-1-amine
CID 106729723
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine (CID 62516781) is 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine is CNCC(CCCOC)Cc1ccc(OC)cc1.
What is the InChIKey of 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is KHOMAJBZILLQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16-12-14(5-4-10-17-2)11-13-6-8-15(18-3)9-7-13/h6-9,14,16H,4-5,10-12H2,1-3H3.
What are the key properties of 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine?
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 62516781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).