1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine

C17H19ClFNO — CID 63487243

IUPAC1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(F)cc1OCc1ccccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-20-12(2)15-9-8-14(19)10-17(15)21-11-13-6-4-5-7-16(13)18/h4-10,12,20H,3,11H2,1-2H3
InChIKeyDLSLWKBHIJRDRM-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.73
Rot. Bonds6

About 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine

1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine (PubChem CID 63487243) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
PubChem CID63487243
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(F)cc1OCc1ccccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-20-12(2)15-9-8-14(19)10-17(15)21-11-13-6-4-5-7-16(13)18/h4-10,12,20H,3,11H2,1-2H3
InChIKeyDLSLWKBHIJRDRM-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63499357
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine (CID 63487243) is 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(F)cc1OCc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine?
The InChIKey is DLSLWKBHIJRDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-20-12(2)15-9-8-14(19)10-17(15)21-11-13-6-4-5-7-16(13)18/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine?
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 63487243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).