1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine

C16H17ClFNO — CID 43247772

IUPAC1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
SMILESCCc1cc(Oc2ccc(C(C)N)cc2F)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-11-8-13(5-6-14(11)17)20-16-7-4-12(10(2)19)9-15(16)18/h4-10H,3,19H2,1-2H3
InChIKeyJCPPNQNXXRTGAI-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.85
Rot. Bonds4

About 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine

1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine (PubChem CID 43247772) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
PubChem CID43247772
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
SMILESCCc1cc(Oc2ccc(C(C)N)cc2F)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-11-8-13(5-6-14(11)17)20-16-7-4-12(10(2)19)9-15(16)18/h4-10H,3,19H2,1-2H3
InChIKeyJCPPNQNXXRTGAI-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
4-bromo-2-(4-chloro-3-ethylphenoxy)-5-fluoroaniline
CID 116736483
4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
CID 63735170
(1S)-1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanamine
CID 107724826

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine (CID 43247772) is 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine is CCc1cc(Oc2ccc(C(C)N)cc2F)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is JCPPNQNXXRTGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-11-8-13(5-6-14(11)17)20-16-7-4-12(10(2)19)9-15(16)18/h4-10H,3,19H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine?
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 43247772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).