1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine

C15H13F4NO — CID 28678045

IUPAC1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccc(OC(F)F)cc2)cc1F
InChIInChI=1S/C15H13F4NO/c16-13-6-3-11(7-14(13)17)9-20-8-10-1-4-12(5-2-10)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeySAVHTOSZHVCVNV-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.86
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine

1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine (PubChem CID 28678045) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
PubChem CID28678045
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccc(OC(F)F)cc2)cc1F
InChIInChI=1S/C15H13F4NO/c16-13-6-3-11(7-14(13)17)9-20-8-10-1-4-12(5-2-10)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeySAVHTOSZHVCVNV-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-[(2,5-difluorophenyl)methyl]methanamine
CID 43312744
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
CID 115574779
3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]benzene-1,2-diol
CID 61318661
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 54976408
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine (CID 28678045) is 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine is Fc1ccc(CNCc2ccc(OC(F)F)cc2)cc1F.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine?
The InChIKey is SAVHTOSZHVCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-13-6-3-11(7-14(13)17)9-20-8-10-1-4-12(5-2-10)21-15(18)19/h1-7,15,20H,8-9H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine?
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-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-[(3,4-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 28678045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).