1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine

C14H12ClF2NO — CID 63037472

IUPAC1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO/c1-8(18)9-5-6-12(10(15)7-9)19-13-4-2-3-11(16)14(13)17/h2-8H,18H2,1H3
InChIKeyFXGAZMWIPWVNDZ-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.43
Rot. Bonds3

About 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine

1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine (PubChem CID 63037472) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
PubChem CID63037472
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO/c1-8(18)9-5-6-12(10(15)7-9)19-13-4-2-3-11(16)14(13)17/h2-8H,18H2,1H3
InChIKeyFXGAZMWIPWVNDZ-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 62910856
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol
CID 78947451
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine (CID 63037472) is 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine is CC(N)c1ccc(Oc2cccc(F)c2F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine?
The InChIKey is FXGAZMWIPWVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-8(18)9-5-6-12(10(15)7-9)19-13-4-2-3-11(16)14(13)17/h2-8H,18H2,1H3.
What are the key properties of 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine?
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine has a molecular weight of 283.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63037472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).