2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine

C17H19ClFN — CID 63412865

IUPAC2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(C)ccc1F
InChIInChI=1S/C17H19ClFN/c1-3-20-17(11-13-5-7-14(18)8-6-13)15-10-12(2)4-9-16(15)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyJUBLSHWMCIGGDT-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine

2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine (PubChem CID 63412865) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
PubChem CID63412865
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(C)ccc1F
InChIInChI=1S/C17H19ClFN/c1-3-20-17(11-13-5-7-14(18)8-6-13)15-10-12(2)4-9-16(15)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyJUBLSHWMCIGGDT-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 106762300

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine (CID 63412865) is 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine is CCNC(Cc1ccc(Cl)cc1)c1cc(C)ccc1F.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The InChIKey is JUBLSHWMCIGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-20-17(11-13-5-7-14(18)8-6-13)15-10-12(2)4-9-16(15)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 63412865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).