1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine

C15H14Cl2FNO — CID 115952543

IUPAC1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-19-8-10-3-2-4-14(18)15(10)20-9-11-7-12(16)5-6-13(11)17/h2-7,19H,8-9H2,1H3
InChIKeyJPOUSCOFFSJXMO-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.43
Rot. Bonds5

About 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine

1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine (PubChem CID 115952543) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
PubChem CID115952543
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-19-8-10-3-2-4-14(18)15(10)20-9-11-7-12(16)5-6-13(11)17/h2-7,19H,8-9H2,1H3
InChIKeyJPOUSCOFFSJXMO-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
4-fluoro-3-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 115952532
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
4-fluoro-2-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902742
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
1-[3-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608849
5-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107879775
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine (CID 115952543) is 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine is CNCc1cccc(F)c1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is JPOUSCOFFSJXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-19-8-10-3-2-4-14(18)15(10)20-9-11-7-12(16)5-6-13(11)17/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 314.19 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 115952543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).