N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine

C14H14F2N2 — CID 54944073

IUPACN-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
SMILESFc1ccc(F)c(CNCCc2ccncc2)c1
InChIInChI=1S/C14H14F2N2/c15-13-1-2-14(16)12(9-13)10-18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2
InChIKeyPYOASRHRFFULCO-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.69
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine

N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 54944073) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID54944073
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
SMILESFc1ccc(F)c(CNCCc2ccncc2)c1
InChIInChI=1S/C14H14F2N2/c15-13-1-2-14(16)12(9-13)10-18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2
InChIKeyPYOASRHRFFULCO-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43312639
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55237246
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(2,5-difluorophenyl)methyl]pent-3-yn-1-amine
CID 104806918

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine (CID 54944073) is N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine is Fc1ccc(F)c(CNCCc2ccncc2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is PYOASRHRFFULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-13-1-2-14(16)12(9-13)10-18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine?
N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 248.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 54944073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).