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

C14H12Cl2FNO — CID 43622050

IUPAC1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-4-12(17)2-3-14(9)19-13-6-10(15)5-11(16)7-13/h2-7,18H,8H2,1H3
InChIKeyPPTLFXBIEOPJGN-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.64
Rot. Bonds4

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

1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 43622050) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID43622050
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-4-12(17)2-3-14(9)19-13-6-10(15)5-11(16)7-13/h2-7,18H,8H2,1H3
InChIKeyPPTLFXBIEOPJGN-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
CID 107087809
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 43622050) is 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is PPTLFXBIEOPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-18-8-9-4-12(17)2-3-14(9)19-13-6-10(15)5-11(16)7-13/h2-7,18H,8H2,1H3.
What are the key properties of 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 300.16 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).