[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine

C13H10Cl2FNO — CID 28966222

IUPAC[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H10Cl2FNO/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-17)5-11(13)16/h1-6H,7,17H2
InChIKeyNRCOJLYEPASQPV-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.38
Rot. Bonds3

About [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine

[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine (PubChem CID 28966222) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
PubChem CID28966222
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H10Cl2FNO/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-17)5-11(13)16/h1-6H,7,17H2
InChIKeyNRCOJLYEPASQPV-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
[4-(2-chloro-5-nitrophenoxy)-3-fluorophenyl]methanamine
CID 63992772
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine (CID 28966222) is [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine is NCc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine?
The InChIKey is NRCOJLYEPASQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-17)5-11(13)16/h1-6H,7,17H2.
What are the key properties of [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine?
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine has a molecular weight of 286.13 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 28966222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).