1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine

C14H12Cl2FNO — CID 43622080

IUPAC1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-2-3-14(13(17)4-9)19-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3
InChIKeyUWBVFEIFCLKFAB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.64
Rot. Bonds4

About 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine

1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 43622080) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID43622080
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-2-3-14(13(17)4-9)19-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3
InChIKeyUWBVFEIFCLKFAB-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-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283755
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine (CID 43622080) is 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(Cl)cc(Cl)c2)c(F)c1.
What is the InChIKey of 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is UWBVFEIFCLKFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-18-8-9-2-3-14(13(17)4-9)19-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3.
What are the key properties of 1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(3,5-dichlorophenoxy)-3-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-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43622080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).