1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine

C11H15F2NO3 — CID 82715760

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO3/c1-15-6-7-16-14-8-9-4-2-3-5-10(9)17-11(12)13/h2-5,11,14H,6-8H2,1H3
InChIKeySZOLTRSMFICHEF-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.96
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine

1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine (PubChem CID 82715760) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
PubChem CID82715760
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO3/c1-15-6-7-16-14-8-9-4-2-3-5-10(9)17-11(12)13/h2-5,11,14H,6-8H2,1H3
InChIKeySZOLTRSMFICHEF-UHFFFAOYSA-N
XLogP1.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715328
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715327
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942491
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976476
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine (CID 82715760) is 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine is COCCONCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
The InChIKey is SZOLTRSMFICHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-15-6-7-16-14-8-9-4-2-3-5-10(9)17-11(12)13/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine has a molecular weight of 247.24 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82715760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).