1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

C15H16F2N2O2 — CID 105026047

IUPAC1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC(F)F)cc1)c1cncc(OC)c1
InChIInChI=1S/C15H16F2N2O2/c1-18-14(11-7-13(20-2)9-19-8-11)10-3-5-12(6-4-10)21-15(16)17/h3-9,14-15,18H,1-2H3
InChIKeySXWPGUIKYCBTMJ-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.00
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105026047) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105026047
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC(F)F)cc1)c1cncc(OC)c1
InChIInChI=1S/C15H16F2N2O2/c1-18-14(11-7-13(20-2)9-19-8-11)10-3-5-12(6-4-10)21-15(16)17/h3-9,14-15,18H,1-2H3
InChIKeySXWPGUIKYCBTMJ-UHFFFAOYSA-N
XLogP3.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
1-[4-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018726
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (CID 105026047) is 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1ccc(OC(F)F)cc1)c1cncc(OC)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is SXWPGUIKYCBTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-18-14(11-7-13(20-2)9-19-8-11)10-3-5-12(6-4-10)21-15(16)17/h3-9,14-15,18H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 294.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).