1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine

C14H12ClF2NO — CID 106531313

IUPAC1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H12ClF2NO/c1-18-8-9-4-10(16)6-12(5-9)19-11-2-3-14(17)13(15)7-11/h2-7,18H,8H2,1H3
InChIKeyTXHIRRXLJTXZES-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.13
Rot. Bonds4

About 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531313) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531313
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H12ClF2NO/c1-18-8-9-4-10(16)6-12(5-9)19-11-2-3-14(17)13(15)7-11/h2-7,18H,8H2,1H3
InChIKeyTXHIRRXLJTXZES-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531313) is 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is TXHIRRXLJTXZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-18-8-9-4-10(16)6-12(5-9)19-11-2-3-14(17)13(15)7-11/h2-7,18H,8H2,1H3.
What are the key properties of 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 283.71 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).