1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine

C10H13F2NO — CID 143587913

IUPAC1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine
SMILESCCc1cccc(OC(F)(F)NC)c1
InChIInChI=1S/C10H13F2NO/c1-3-8-5-4-6-9(7-8)14-10(11,12)13-2/h4-7,13H,3H2,1-2H3
InChIKeyAHPRDSWOHXOZDY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.40
Rot. Bonds4

About 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine

1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine (PubChem CID 143587913) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine
PubChem CID143587913
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine
SMILESCCc1cccc(OC(F)(F)NC)c1
InChIInChI=1S/C10H13F2NO/c1-3-8-5-4-6-9(7-8)14-10(11,12)13-2/h4-7,13H,3H2,1-2H3
InChIKeyAHPRDSWOHXOZDY-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-ethylphenyl) hypoiodite
CID 71211599
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
potassium (3-ethylphenoxy)methyl-trifluoroboranuide
CID 63703906
1-ethyl-3-methanidyloxybenzene;yttrium
CID 59798330
1-(3-ethylphenoxy)ethanol
CID 66709778
2-[[2-(3-ethylphenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 82043618

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine?
The IUPAC name of 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine (CID 143587913) is 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine is CCc1cccc(OC(F)(F)NC)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine?
The InChIKey is AHPRDSWOHXOZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-3-8-5-4-6-9(7-8)14-10(11,12)13-2/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine?
1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine is sourced from PubChem (CID 143587913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).