2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine

C14H12ClF2NO — CID 106533476

IUPAC2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H12ClF2NO/c15-13-8-11(1-2-14(13)17)19-12-6-9(3-4-18)5-10(16)7-12/h1-2,5-8H,3-4,18H2
InChIKeyWNVDJWQUDPPFDJ-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.91
Rot. Bonds4

About 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine

2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 106533476) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
PubChem CID106533476
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H12ClF2NO/c15-13-8-11(1-2-14(13)17)19-12-6-9(3-4-18)5-10(16)7-12/h1-2,5-8H,3-4,18H2
InChIKeyWNVDJWQUDPPFDJ-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 103040665
2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533283
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine (CID 106533476) is 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is WNVDJWQUDPPFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-13-8-11(1-2-14(13)17)19-12-6-9(3-4-18)5-10(16)7-12/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine?
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 283.71 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106533476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).