2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine

C13H11Cl2FN2 — CID 102622472

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1ccncc1Cl
InChIInChI=1S/C13H11Cl2FN2/c14-11-2-1-9(16)5-8(11)6-13(17)10-3-4-18-7-12(10)15/h1-5,7,13H,6,17H2
InChIKeyMIEGIHOAYUAORZ-UHFFFAOYSA-N
MW285.15 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 102622472) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
PubChem CID102622472
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1ccncc1Cl
InChIInChI=1S/C13H11Cl2FN2/c14-11-2-1-9(16)5-8(11)6-13(17)10-3-4-18-7-12(10)15/h1-5,7,13H,6,17H2
InChIKeyMIEGIHOAYUAORZ-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-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 102622579
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine (CID 102622472) is 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine is NC(Cc1cc(F)ccc1Cl)c1ccncc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is MIEGIHOAYUAORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c14-11-2-1-9(16)5-8(11)6-13(17)10-3-4-18-7-12(10)15/h1-5,7,13H,6,17H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-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-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 102622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).