(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine

C14H19F2NO2 — CID 103092417

IUPAC(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1cccc(OC)c1OC(F)F
InChIInChI=1S/C14H19F2NO2/c1-4-17-10(2)8-9-11-6-5-7-12(18-3)13(11)19-14(15)16/h5-10,14,17H,4H2,1-3H3/b9-8+
InChIKeyOMNVZLZEUGYFHS-CMDGGOBGSA-N
MW271.31 g/mol
LogP3.31
Rot. Bonds7

About (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine

(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine (PubChem CID 103092417) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
PubChem CID103092417
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1cccc(OC)c1OC(F)F
InChIInChI=1S/C14H19F2NO2/c1-4-17-10(2)8-9-11-6-5-7-12(18-3)13(11)19-14(15)16/h5-10,14,17H,4H2,1-3H3/b9-8+
InChIKeyOMNVZLZEUGYFHS-CMDGGOBGSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
CID 103092393
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
3-[2-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340405
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-N-propylbutan-1-amine
CID 79329735
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-prop-2-enylprop-2-enamide
CID 9207550
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
(E)-4-(3-chloro-4-methoxyphenyl)-N-ethylbut-3-en-2-amine
CID 103092349
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropyl)prop-2-enamide
CID 51204733
N-(1-cyclopropylethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75129047
1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
CID 165468768
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine (CID 103092417) is (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/c1cccc(OC)c1OC(F)F.
What is the InChIKey of (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine?
The InChIKey is OMNVZLZEUGYFHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-4-17-10(2)8-9-11-6-5-7-12(18-3)13(11)19-14(15)16/h5-10,14,17H,4H2,1-3H3/b9-8+.
What are the key properties of (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine?
(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine has a molecular weight of 271.31 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).