N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine

C13H11F3N2 — CID 115591051

IUPACN-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F3N2/c1-8(9-5-6-10(14)11(15)7-9)17-13-4-2-3-12(16)18-13/h2-8H,1H3,(H,17,18)
InChIKeyKJAUNNIPAUAOTD-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine

N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 115591051) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
PubChem CID115591051
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F3N2/c1-8(9-5-6-10(14)11(15)7-9)17-13-4-2-3-12(16)18-13/h2-8H,1H3,(H,17,18)
InChIKeyKJAUNNIPAUAOTD-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoropyridin-2-amine
CID 115598197
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
CID 133274740
N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine
CID 115617458
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 116813054

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine (CID 115591051) is N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine is CC(Nc1cccc(F)n1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is KJAUNNIPAUAOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8(9-5-6-10(14)11(15)7-9)17-13-4-2-3-12(16)18-13/h2-8H,1H3,(H,17,18).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine has a molecular weight of 252.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 115591051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).