[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine

C14H12Cl2FNO — CID 107878986

IUPAC[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cccc(Cl)c2Cl)ccc1F
InChIInChI=1S/C14H12Cl2FNO/c15-11-2-1-3-13(14(11)16)19-8-9-4-5-12(17)10(6-9)7-18/h1-6H,7-8,18H2
InChIKeyITOLFAXPRQYUIS-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

About [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine

[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107878986) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107878986
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cccc(Cl)c2Cl)ccc1F
InChIInChI=1S/C14H12Cl2FNO/c15-11-2-1-3-13(14(11)16)19-8-9-4-5-12(17)10(6-9)7-18/h1-6H,7-8,18H2
InChIKeyITOLFAXPRQYUIS-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
5-[(2,3-dichlorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879818
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
CID 55037402
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine (CID 107878986) is [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine is NCc1cc(COc2cccc(Cl)c2Cl)ccc1F.
What is the InChIKey of [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is ITOLFAXPRQYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-2-1-3-13(14(11)16)19-8-9-4-5-12(17)10(6-9)7-18/h1-6H,7-8,18H2.
What are the key properties of [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine?
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine has a molecular weight of 300.16 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).