N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine

C16H25NO2 — CID 61268729

IUPACN-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCC=C(C)C
InChIInChI=1S/C16H25NO2/c1-5-9-17-12-14-6-7-15(18-4)11-16(14)19-10-8-13(2)3/h6-8,11,17H,5,9-10,12H2,1-4H3
InChIKeyBZNVTIKNKGMDSA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.54
Rot. Bonds8

About N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine

N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine (PubChem CID 61268729) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
PubChem CID61268729
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCC=C(C)C
InChIInChI=1S/C16H25NO2/c1-5-9-17-12-14-6-7-15(18-4)11-16(14)19-10-8-13(2)3/h6-8,11,17H,5,9-10,12H2,1-4H3
InChIKeyBZNVTIKNKGMDSA-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032736
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine (CID 61268729) is N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)cc1OCC=C(C)C.
What is the InChIKey of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine?
The InChIKey is BZNVTIKNKGMDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-9-17-12-14-6-7-15(18-4)11-16(14)19-10-8-13(2)3/h6-8,11,17H,5,9-10,12H2,1-4H3.
What are the key properties of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine?
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61268729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).