N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine

C14H14F2N2 — CID 79712293

IUPACN-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H14F2N2/c1-2-17-14(10-3-5-11(15)6-4-10)13-8-7-12(16)9-18-13/h3-9,14,17H,2H2,1H3
InChIKeyQHJLCTVPQLGPRU-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine

N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine (PubChem CID 79712293) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
PubChem CID79712293
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H14F2N2/c1-2-17-14(10-3-5-11(15)6-4-10)13-8-7-12(16)9-18-13/h3-9,14,17H,2H2,1H3
InChIKeyQHJLCTVPQLGPRU-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
CID 79712572
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222518
3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
CID 79712859
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine (CID 79712293) is N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccc(F)cn1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The InChIKey is QHJLCTVPQLGPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-2-17-14(10-3-5-11(15)6-4-10)13-8-7-12(16)9-18-13/h3-9,14,17H,2H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine has a molecular weight of 248.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 79712293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).