2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine

C17H20ClFN2 — CID 102619289

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ncc(C)cc1C
InChIInChI=1S/C17H20ClFN2/c1-4-20-16(17-12(3)7-11(2)10-21-17)9-13-8-14(19)5-6-15(13)18/h5-8,10,16,20H,4,9H2,1-3H3
InChIKeyRIPNFKCWWLQLJA-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.38
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine

2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine (PubChem CID 102619289) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine
PubChem CID102619289
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ncc(C)cc1C
InChIInChI=1S/C17H20ClFN2/c1-4-20-16(17-12(3)7-11(2)10-21-17)9-13-8-14(19)5-6-15(13)18/h5-8,10,16,20H,4,9H2,1-3H3
InChIKeyRIPNFKCWWLQLJA-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 102622794
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine (CID 102619289) is 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1Cl)c1ncc(C)cc1C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine?
The InChIKey is RIPNFKCWWLQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-4-20-16(17-12(3)7-11(2)10-21-17)9-13-8-14(19)5-6-15(13)18/h5-8,10,16,20H,4,9H2,1-3H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine?
2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine has a molecular weight of 306.81 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 102619289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).