N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine

C15H23NO2 — CID 60880606

IUPACN-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
SMILESC=C(C)COc1ccc(OC)cc1CNCCC
InChIInChI=1S/C15H23NO2/c1-5-8-16-10-13-9-14(17-4)6-7-15(13)18-11-12(2)3/h6-7,9,16H,2,5,8,10-11H2,1,3-4H3
InChIKeySNSXUWBOZMZWPS-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.15
Rot. Bonds8

About N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine

N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine (PubChem CID 60880606) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
PubChem CID60880606
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
SMILESC=C(C)COc1ccc(OC)cc1CNCCC
InChIInChI=1S/C15H23NO2/c1-5-8-16-10-13-9-14(17-4)6-7-15(13)18-11-12(2)3/h6-7,9,16H,2,5,8,10-11H2,1,3-4H3
InChIKeySNSXUWBOZMZWPS-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.15
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-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43309412
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
N-[(5-methoxy-2-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804351
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062322

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine (CID 60880606) is N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine is C=C(C)COc1ccc(OC)cc1CNCCC.
What is the InChIKey of N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine?
The InChIKey is SNSXUWBOZMZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-8-16-10-13-9-14(17-4)6-7-15(13)18-11-12(2)3/h6-7,9,16H,2,5,8,10-11H2,1,3-4H3.
What are the key properties of N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine?
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60880606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).