N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine

C11H14F3NO — CID 107695779

IUPACN-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OC(F)F
InChIInChI=1S/C11H14F3NO/c1-2-5-15-7-8-6-9(12)3-4-10(8)16-11(13)14/h3-4,6,11,15H,2,5,7H2,1H3
InChIKeyDIHDUCUXMXFPMU-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.93
Rot. Bonds6

About N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine

N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 107695779) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
PubChem CID107695779
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OC(F)F
InChIInChI=1S/C11H14F3NO/c1-2-5-15-7-8-6-9(12)3-4-10(8)16-11(13)14/h3-4,6,11,15H,2,5,7H2,1H3
InChIKeyDIHDUCUXMXFPMU-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
N-[[2-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314214
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 107695888
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 107695883
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine (CID 107695779) is N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is DIHDUCUXMXFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-5-15-7-8-6-9(12)3-4-10(8)16-11(13)14/h3-4,6,11,15H,2,5,7H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine?
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).