2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine

C17H19ClFN — CID 102622705

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1cc(F)ccc1Cl)NC
InChIInChI=1S/C17H19ClFN/c1-3-12-6-4-5-7-15(12)17(20-2)11-13-10-14(19)8-9-16(13)18/h4-10,17,20H,3,11H2,1-2H3
InChIKeyOLZYYOZZRYCMIF-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.54
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine

2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine (PubChem CID 102622705) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
PubChem CID102622705
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1cc(F)ccc1Cl)NC
InChIInChI=1S/C17H19ClFN/c1-3-12-6-4-5-7-15(12)17(20-2)11-13-10-14(19)8-9-16(13)18/h4-10,17,20H,3,11H2,1-2H3
InChIKeyOLZYYOZZRYCMIF-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine (CID 102622705) is 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine is CCc1ccccc1C(Cc1cc(F)ccc1Cl)NC.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The InChIKey is OLZYYOZZRYCMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-12-6-4-5-7-15(12)17(20-2)11-13-10-14(19)8-9-16(13)18/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine?
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 102622705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).