2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine

C14H21NO2 — CID 66037111

IUPAC2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
SMILESC=C(CC)COc1ccc(CCN)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-11(2)10-17-13-6-5-12(7-8-15)9-14(13)16-3/h5-6,9H,2,4,7-8,10,15H2,1,3H3
InChIKeyJIMZPLUMLJVVNV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds7

About 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine

2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine (PubChem CID 66037111) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
PubChem CID66037111
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
SMILESC=C(CC)COc1ccc(CCN)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-11(2)10-17-13-6-5-12(7-8-15)9-14(13)16-3/h5-6,9H,2,4,7-8,10,15H2,1,3H3
InChIKeyJIMZPLUMLJVVNV-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
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

1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039492
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 66046375
[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
CID 107690695

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine (CID 66037111) is 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine is C=C(CC)COc1ccc(CCN)cc1OC.
What is the InChIKey of 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine?
The InChIKey is JIMZPLUMLJVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(2)10-17-13-6-5-12(7-8-15)9-14(13)16-3/h5-6,9H,2,4,7-8,10,15H2,1,3H3.
What are the key properties of 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine?
2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine is sourced from PubChem (CID 66037111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).