1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine

C15H13F4NO — CID 43312744

IUPAC1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
SMILESFc1ccc(F)c(CNCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H13F4NO/c16-12-3-6-14(17)11(7-12)9-20-8-10-1-4-13(5-2-10)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeyMBUKRUFKBZVEPS-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.86
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine

1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine (PubChem CID 43312744) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
PubChem CID43312744
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
SMILESFc1ccc(F)c(CNCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H13F4NO/c16-12-3-6-14(17)11(7-12)9-20-8-10-1-4-13(5-2-10)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeyMBUKRUFKBZVEPS-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62049325
3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]benzene-1,2-diol
CID 61318661
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455
1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 62537424

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine (CID 43312744) is 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine is Fc1ccc(F)c(CNCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine?
The InChIKey is MBUKRUFKBZVEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-3-6-14(17)11(7-12)9-20-8-10-1-4-13(5-2-10)21-15(18)19/h1-7,15,20H,8-9H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine?
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 43312744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).