2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine

C11H13F2NO — CID 103066768

IUPAC2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c1-8(6-14-2)7-15-11-4-3-9(12)5-10(11)13/h3-5,14H,1,6-7H2,2H3
InChIKeyKJHWBNNVHYSGFE-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.12
Rot. Bonds5

About 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine

2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine (PubChem CID 103066768) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
PubChem CID103066768
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c1-8(6-14-2)7-15-11-4-3-9(12)5-10(11)13/h3-5,14H,1,6-7H2,2H3
InChIKeyKJHWBNNVHYSGFE-UHFFFAOYSA-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'}

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Related Compounds

2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
CID 112547474
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234
N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine
CID 178171714
2-[(2-chloro-5-fluorophenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 114264288
N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066856
1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107695216
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine (CID 103066768) is 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)COc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is KJHWBNNVHYSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-8(6-14-2)7-15-11-4-3-9(12)5-10(11)13/h3-5,14H,1,6-7H2,2H3.
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
2-[(2,4-difluorophenoxy)methyl]-N-methylprop-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 2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103066768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).