1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine

C17H18ClF2N — CID 82871396

IUPAC1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1cc(Cl)ccc1C
InChIInChI=1S/C17H18ClF2N/c1-3-21-16(14-10-13(18)8-7-11(14)2)9-12-5-4-6-15(19)17(12)20/h4-8,10,16,21H,3,9H2,1-2H3
InChIKeyOTNWADQKPHLJAO-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.82
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine

1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine (PubChem CID 82871396) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
PubChem CID82871396
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1cc(Cl)ccc1C
InChIInChI=1S/C17H18ClF2N/c1-3-21-16(14-10-13(18)8-7-11(14)2)9-12-5-4-6-15(19)17(12)20/h4-8,10,16,21H,3,9H2,1-2H3
InChIKeyOTNWADQKPHLJAO-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-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 63988403
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine (CID 82871396) is 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1F)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The InChIKey is OTNWADQKPHLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-3-21-16(14-10-13(18)8-7-11(14)2)9-12-5-4-6-15(19)17(12)20/h4-8,10,16,21H,3,9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine 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-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82871396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).