2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

C13H11Cl2FN2 — CID 79722329

IUPAC2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11Cl2FN2/c14-10-3-1-8(5-11(10)15)6-12(17)13-4-2-9(16)7-18-13/h1-5,7,12H,6,17H2
InChIKeyYFXUJHQJZFKMNN-UHFFFAOYSA-N
MW285.15 g/mol
LogP3.77
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 79722329) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID79722329
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11Cl2FN2/c14-10-3-1-8(5-11(10)15)6-12(17)13-4-2-9(16)7-18-13/h1-5,7,12H,6,17H2
InChIKeyYFXUJHQJZFKMNN-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 82923360
2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722736
2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
CID 63044768
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105136466
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 103040328
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
3-amino-3-(5-fluoro-2-pyridinyl)propanamide
CID 87634519
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 79722329) is 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is YFXUJHQJZFKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c14-10-3-1-8(5-11(10)15)6-12(17)13-4-2-9(16)7-18-13/h1-5,7,12H,6,17H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 285.15 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79722329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).