1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

C15H13F4NO — CID 43482866

IUPAC1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H13F4NO/c1-20-14(12-8-10(16)5-6-13(12)17)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15,20H,1H3
InChIKeyNMDXQCKTRQPLIK-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.88
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 43482866) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID43482866
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H13F4NO/c1-20-14(12-8-10(16)5-6-13(12)17)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15,20H,1H3
InChIKeyNMDXQCKTRQPLIK-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
[[3-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methyl]hydrazine
CID 105303330
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952168
1-(2,5-dibromothiophen-3-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43486884
1-[4-(difluoromethoxy)phenyl]-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852792

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 43482866) is 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is CNC(c1cccc(OC(F)F)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is NMDXQCKTRQPLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-20-14(12-8-10(16)5-6-13(12)17)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15,20H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43482866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).