N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine

C13H10Cl2F2N2 — CID 112675534

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
SMILESCC(Nc1ncc(F)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F2N2/c1-7(10-3-2-8(14)4-11(10)15)19-13-12(17)5-9(16)6-18-13/h2-7H,1H3,(H,18,19)
InChIKeyFCLMYFIRTLCKAA-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.84
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine (PubChem CID 112675534) has the molecular formula C13H10Cl2F2N2 and a molecular weight of 303.14 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
PubChem CID112675534
Molecular FormulaC13H10Cl2F2N2
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
SMILESCC(Nc1ncc(F)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F2N2/c1-7(10-3-2-8(14)4-11(10)15)19-13-12(17)5-9(16)6-18-13/h2-7H,1H3,(H,18,19)
InChIKeyFCLMYFIRTLCKAA-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112676271
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648364
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
CID 60677573
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine (CID 112675534) is N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine is CC(Nc1ncc(F)cc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine?
The InChIKey is FCLMYFIRTLCKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F2N2/c1-7(10-3-2-8(14)4-11(10)15)19-13-12(17)5-9(16)6-18-13/h2-7H,1H3,(H,18,19).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine has a molecular weight of 303.14 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112675534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).