1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine

C15H25NO2 — CID 83152802

IUPAC1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCCCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)6-5-9-18-15-10-13(11-16-3)7-8-14(15)17-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyNOEZRZRLPGNPFT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds8

About 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine

1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine (PubChem CID 83152802) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
PubChem CID83152802
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCCCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)6-5-9-18-15-10-13(11-16-3)7-8-14(15)17-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyNOEZRZRLPGNPFT-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
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

1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
1-[4-methoxy-3-(2-phenylsulfanylethoxy)phenyl]-N-methylmethanamine
CID 79214023
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine (CID 83152802) is 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(OCCCC(C)C)c1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine?
The InChIKey is NOEZRZRLPGNPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)6-5-9-18-15-10-13(11-16-3)7-8-14(15)17-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine?
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 83152802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).