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

C14H13ClFNO — CID 43314250

IUPAC1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO/c1-17-9-10-7-12(16)5-6-14(10)18-13-4-2-3-11(15)8-13/h2-8,17H,9H2,1H3
InChIKeyTZKZUVMYVKQZFO-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.99
Rot. Bonds4

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

1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 43314250) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID43314250
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO/c1-17-9-10-7-12(16)5-6-14(10)18-13-4-2-3-11(15)8-13/h2-8,17H,9H2,1H3
InChIKeyTZKZUVMYVKQZFO-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
CID 114061865
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
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-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
2-[3-[[2-(3-chlorophenoxy)-5-fluorophenyl]methylamino]phenyl]acetic acid
CID 146096204
1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 43314250) is 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is TZKZUVMYVKQZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-17-9-10-7-12(16)5-6-14(10)18-13-4-2-3-11(15)8-13/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 265.72 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43314250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).