(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine

C14H20N2O2 — CID 170590461

IUPAC(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine
SMILESCC/N=C/C(OCc1ccc(OC)cc1)=C(/C)N
InChIInChI=1S/C14H20N2O2/c1-4-16-9-14(11(2)15)18-10-12-5-7-13(17-3)8-6-12/h5-9H,4,10,15H2,1-3H3/b14-11+,16-9+
InChIKeyHBLSMRGURGMVBI-CBYOLGTLSA-N
MW248.33 g/mol
LogP2.49
Rot. Bonds6

About (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine

(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine (PubChem CID 170590461) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine
PubChem CID170590461
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine
SMILESCC/N=C/C(OCc1ccc(OC)cc1)=C(/C)N
InChIInChI=1S/C14H20N2O2/c1-4-16-9-14(11(2)15)18-10-12-5-7-13(17-3)8-6-12/h5-9H,4,10,15H2,1-3H3/b14-11+,16-9+
InChIKeyHBLSMRGURGMVBI-CBYOLGTLSA-N
XLogP2.49
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
2-[(4-methoxyphenyl)methoxy]guanidine
CID 3601250
diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
CID 3601249
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
CID 75985313
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoic acid
CID 71347952
1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
CID 143140381
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
(4-methoxyphenyl)methyl N-(3-hydroxyiminobutan-2-ylideneamino)carbamate
CID 135406145

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine?
The IUPAC name of (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine (CID 170590461) is (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine.
What is the SMILES notation for (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine?
The canonical SMILES for (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine is CC/N=C/C(OCc1ccc(OC)cc1)=C(/C)N.
What is the InChIKey of (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine?
The InChIKey is HBLSMRGURGMVBI-CBYOLGTLSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-16-9-14(11(2)15)18-10-12-5-7-13(17-3)8-6-12/h5-9H,4,10,15H2,1-3H3/b14-11+,16-9+.
What are the key properties of (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine?
(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine is sourced from PubChem (CID 170590461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).