1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine

C17H18ClF2N — CID 106858425

IUPAC1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(C)cc1Cl
InChIInChI=1S/C17H18ClF2N/c1-3-21-17(13-6-4-11(2)8-14(13)18)10-12-5-7-15(19)16(20)9-12/h4-9,17,21H,3,10H2,1-2H3
InChIKeyOJNAFFLXFYREDG-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.82
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine

1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine (PubChem CID 106858425) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
PubChem CID106858425
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(C)cc1Cl
InChIInChI=1S/C17H18ClF2N/c1-3-21-17(13-6-4-11(2)8-14(13)18)10-12-5-7-15(19)16(20)9-12/h4-9,17,21H,3,10H2,1-2H3
InChIKeyOJNAFFLXFYREDG-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

2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine (CID 106858425) is 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(F)c1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is OJNAFFLXFYREDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-3-21-17(13-6-4-11(2)8-14(13)18)10-12-5-7-15(19)16(20)9-12/h4-9,17,21H,3,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
1-(2-chloro-4-methylphenyl)-2-(3,4-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-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106858425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).