1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine

C11H14ClF2NO3 — CID 82715328

IUPAC1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H14ClF2NO3/c1-16-4-5-17-15-7-8-6-9(12)2-3-10(8)18-11(13)14/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyDFTIWXUUUWPPSW-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.61
Rot. Bonds8

About 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine

1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine (PubChem CID 82715328) has the molecular formula C11H14ClF2NO3 and a molecular weight of 281.69 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
PubChem CID82715328
Molecular FormulaC11H14ClF2NO3
Molecular Weight281.69 g/mol
Exact Mass281.06
IUPAC Name1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H14ClF2NO3/c1-16-4-5-17-15-7-8-6-9(12)2-3-10(8)18-11(13)14/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyDFTIWXUUUWPPSW-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.61
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-[5-bromo-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715327
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715760
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine (CID 82715328) is 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine is COCCONCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
The InChIKey is DFTIWXUUUWPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO3/c1-16-4-5-17-15-7-8-6-9(12)2-3-10(8)18-11(13)14/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine?
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine has a molecular weight of 281.69 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82715328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).