(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine

C11H13F2NO — CID 112547474

IUPAC(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
SMILESCNC/C=C/COc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h2-5,8,14H,6-7H2,1H3/b3-2+
InChIKeyPGLNCFBFJPZIGK-NSCUHMNNSA-N
MW213.23 g/mol
LogP2.12
Rot. Bonds5

About (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine

(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine (PubChem CID 112547474) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
PubChem CID112547474
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
SMILESCNC/C=C/COc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h2-5,8,14H,6-7H2,1H3/b3-2+
InChIKeyPGLNCFBFJPZIGK-NSCUHMNNSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066768
methyl 4-(2,4-difluorophenoxy)-2-ethylbut-2-enoate
CID 77100526
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
CID 89282398
CID 89282398
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
2,4-difluoro-1-octadec-9-enoxybenzene
CID 173351130

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine?
The IUPAC name of (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine (CID 112547474) is (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine?
The canonical SMILES for (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine is CNC/C=C/COc1ccc(F)cc1F.
What is the InChIKey of (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine?
The InChIKey is PGLNCFBFJPZIGK-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h2-5,8,14H,6-7H2,1H3/b3-2+.
What are the key properties of (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine?
(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 112547474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).