2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine

C14H21NO2 — CID 76976965

IUPAC2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccc(OC(CC)CN)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-11-7-8-13(14(9-11)16-3)17-12(5-2)10-15/h4,6-9,12H,5,10,15H2,1-3H3
InChIKeyIBMFDBGIBDUGLH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine

2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine (PubChem CID 76976965) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
PubChem CID76976965
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccc(OC(CC)CN)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-11-7-8-13(14(9-11)16-3)17-12(5-2)10-15/h4,6-9,12H,5,10,15H2,1-3H3
InChIKeyIBMFDBGIBDUGLH-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
CID 21160693
2-methoxy-5-prop-1-enylaniline
CID 853489
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-1-(2-methylbutan-2-yloxy)-4-[(Z)-prop-1-enyl]benzene
CID 177482757
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 76946776
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine?
The IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine (CID 76976965) is 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine?
The canonical SMILES for 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine is CC=Cc1ccc(OC(CC)CN)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine?
The InChIKey is IBMFDBGIBDUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-11-7-8-13(14(9-11)16-3)17-12(5-2)10-15/h4,6-9,12H,5,10,15H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine?
2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine is sourced from PubChem (CID 76976965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).