2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine

C12H17NO2 — CID 62582661

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
SMILESC/C=C/c1ccc(OCCN)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-4-10-5-6-11(15-8-7-13)12(9-10)14-2/h3-6,9H,7-8,13H2,1-2H3/b4-3+
InChIKeyAZRJYKNYHLFEIO-ONEGZZNKSA-N
MW207.27 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine (PubChem CID 62582661) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
PubChem CID62582661
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
SMILESC/C=C/c1ccc(OCCN)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-4-10-5-6-11(15-8-7-13)12(9-10)14-2/h3-6,9H,7-8,13H2,1-2H3/b4-3+
InChIKeyAZRJYKNYHLFEIO-ONEGZZNKSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2285613
(1E,6E)-1-[3,4-bis(2-aminoethoxy)phenyl]-7-(4-ethoxy-3-methoxyphenyl)-4-methylhepta-1,6-diene-3,5-dione
CID 126635810
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine (CID 62582661) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine is C/C=C/c1ccc(OCCN)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine?
The InChIKey is AZRJYKNYHLFEIO-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-10-5-6-11(15-8-7-13)12(9-10)14-2/h3-6,9H,7-8,13H2,1-2H3/b4-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine has a molecular weight of 207.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine is sourced from PubChem (CID 62582661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).