1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine

C10H13F2NO2 — CID 112684585

IUPAC1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
SMILESCOCC(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H13F2NO2/c1-14-6-9(13)7-3-2-4-8(5-7)15-10(11)12/h2-5,9-10H,6,13H2,1H3
InChIKeyLSSSONCQNSHMCW-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.93
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine

1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine (PubChem CID 112684585) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
PubChem CID112684585
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
SMILESCOCC(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H13F2NO2/c1-14-6-9(13)7-3-2-4-8(5-7)15-10(11)12/h2-5,9-10H,6,13H2,1H3
InChIKeyLSSSONCQNSHMCW-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine (CID 112684585) is 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine is COCC(N)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine?
The InChIKey is LSSSONCQNSHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-6-9(13)7-3-2-4-8(5-7)15-10(11)12/h2-5,9-10H,6,13H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine?
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine has a molecular weight of 217.22 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine is sourced from PubChem (CID 112684585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).