1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine

C13H19NO2 — CID 60880342

IUPAC1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1ccc(C(C)N)cc1OC
InChIInChI=1S/C13H19NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,10H,1,8,14H2,2-4H3
InChIKeyRENALESMTZYXFA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds5

About 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine

1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine (PubChem CID 60880342) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
PubChem CID60880342
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1ccc(C(C)N)cc1OC
InChIInChI=1S/C13H19NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,10H,1,8,14H2,2-4H3
InChIKeyRENALESMTZYXFA-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
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

(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629501

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine (CID 60880342) is 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine is C=C(C)COc1ccc(C(C)N)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is RENALESMTZYXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,10H,1,8,14H2,2-4H3.
What are the key properties of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 60880342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).