(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine

C15H21NO2 — CID 54849601

IUPAC(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
SMILESC=CCOc1c(CC=C)cc(CN)cc1OCC
InChIInChI=1S/C15H21NO2/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h4-5,9-10H,1-2,6-8,11,16H2,3H3
InChIKeyFOTCJZHMHSPEFT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.84
Rot. Bonds8

About (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine

(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine (PubChem CID 54849601) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
PubChem CID54849601
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
SMILESC=CCOc1c(CC=C)cc(CN)cc1OCC
InChIInChI=1S/C15H21NO2/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h4-5,9-10H,1-2,6-8,11,16H2,3H3
InChIKeyFOTCJZHMHSPEFT-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.84
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

(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidenehydrazine
CID 168530223
N-[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methyl]-4-methylaniline
CID 126125593
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
N-[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methyl]-3,4-dimethylaniline
CID 126124235
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol
CID 170868751
(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126123356
(3-bromo-5-ethoxy-4-hept-6-enoxyphenyl)methanamine
CID 107006117
[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
CID 168532862
N-[(3,4-diethoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126116662
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
N-[(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)methyl]aniline
CID 126122017

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine?
The IUPAC name of (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine (CID 54849601) is (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine.
What is the SMILES notation for (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine?
The canonical SMILES for (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine is C=CCOc1c(CC=C)cc(CN)cc1OCC.
What is the InChIKey of (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine?
The InChIKey is FOTCJZHMHSPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h4-5,9-10H,1-2,6-8,11,16H2,3H3.
What are the key properties of (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine?
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine is sourced from PubChem (CID 54849601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).