1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

C17H18ClF2N — CID 107995692

IUPAC1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClF2N/c1-3-21-17(12-5-7-15(18)16(20)9-12)10-13-8-14(19)6-4-11(13)2/h4-9,17,21H,3,10H2,1-2H3
InChIKeyIRMFNBDYLWQBQB-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.82
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 107995692) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID107995692
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClF2N/c1-3-21-17(12-5-7-15(18)16(20)9-12)10-13-8-14(19)6-4-11(13)2/h4-9,17,21H,3,10H2,1-2H3
InChIKeyIRMFNBDYLWQBQB-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (CID 107995692) is 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is IRMFNBDYLWQBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-3-21-17(12-5-7-15(18)16(20)9-12)10-13-8-14(19)6-4-11(13)2/h4-9,17,21H,3,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 309.79 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 107995692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).