N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine

C11H13FN4 — CID 104738570

IUPACN-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1ccncc1F
InChIInChI=1S/C11H13FN4/c1-2-14-10(11-15-5-6-16-11)8-3-4-13-7-9(8)12/h3-7,10,14H,2H2,1H3,(H,15,16)
InChIKeyVJBCSLKGOZDAKS-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.64
Rot. Bonds4

About N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine (PubChem CID 104738570) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
PubChem CID104738570
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1ccncc1F
InChIInChI=1S/C11H13FN4/c1-2-14-10(11-15-5-6-16-11)8-3-4-13-7-9(8)12/h3-7,10,14H,2H2,1H3,(H,15,16)
InChIKeyVJBCSLKGOZDAKS-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
N-[(4-bromo-3-chloro-2-fluorophenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 106762810
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754769
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738716
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81231091

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine (CID 104738570) is N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine is CCNC(c1ncc[nH]1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine?
The InChIKey is VJBCSLKGOZDAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-2-14-10(11-15-5-6-16-11)8-3-4-13-7-9(8)12/h3-7,10,14H,2H2,1H3,(H,15,16).
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 104738570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).