1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine

C15H13ClF3NO — CID 105022622

IUPAC1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClF3NO/c1-20-14(12-6-5-10(16)8-13(12)17)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15,20H,1H3
InChIKeyTZMMURFPQHLXND-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 105022622) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID105022622
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClF3NO/c1-20-14(12-6-5-10(16)8-13(12)17)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15,20H,1H3
InChIKeyTZMMURFPQHLXND-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-(2,5-dibromothiophen-3-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43486884
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 105022622) is 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine is CNC(c1cccc(OC(F)F)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is TZMMURFPQHLXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20-14(12-6-5-10(16)8-13(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-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 105022622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).