1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine

C16H17ClFNO — CID 63532134

IUPAC1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-19-11(2)13-6-4-5-7-15(13)20-16-9-8-12(18)10-14(16)17/h4-11,19H,3H2,1-2H3
InChIKeyMOOAXVGRRCQVDH-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.94
Rot. Bonds5

About 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine

1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 63532134) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
PubChem CID63532134
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-19-11(2)13-6-4-5-7-15(13)20-16-9-8-12(18)10-14(16)17/h4-11,19H,3H2,1-2H3
InChIKeyMOOAXVGRRCQVDH-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
CID 43285237
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine (CID 63532134) is 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is MOOAXVGRRCQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-11(2)13-6-4-5-7-15(13)20-16-9-8-12(18)10-14(16)17/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine?
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63532134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).