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

C17H27NO2 — CID 63056468

IUPACN-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OCC=C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-13(2)9-10-20-16-11-15(19-6)8-7-14(16)12-18-17(3,4)5/h7-9,11,18H,10,12H2,1-6H3
InChIKeyFFPPJQKOARMZFP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds6

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

N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056468) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056468
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OCC=C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-13(2)9-10-20-16-11-15(19-6)8-7-14(16)12-18-17(3,4)5/h7-9,11,18H,10,12H2,1-6H3
InChIKeyFFPPJQKOARMZFP-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63056468) is N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)c(OCC=C(C)C)c1.
What is the InChIKey of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FFPPJQKOARMZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)9-10-20-16-11-15(19-6)8-7-14(16)12-18-17(3,4)5/h7-9,11,18H,10,12H2,1-6H3.
What are the key properties of N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 6 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]-2-methylpropan-2-amine is sourced from PubChem (CID 63056468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).