N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine

C14H14BrFN2 — CID 106645324

IUPACN-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cccc(Br)c1F
InChIInChI=1S/C14H14BrFN2/c1-2-18-14(10-5-4-8-17-9-10)11-6-3-7-12(15)13(11)16/h3-9,14,18H,2H2,1H3
InChIKeyYTMKQKLLDSIJSS-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.68
Rot. Bonds4

About N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 106645324) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID106645324
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cccc(Br)c1F
InChIInChI=1S/C14H14BrFN2/c1-2-18-14(10-5-4-8-17-9-10)11-6-3-7-12(15)13(11)16/h3-9,14,18H,2H2,1H3
InChIKeyYTMKQKLLDSIJSS-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine (CID 106645324) is N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is YTMKQKLLDSIJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-2-18-14(10-5-4-8-17-9-10)11-6-3-7-12(15)13(11)16/h3-9,14,18H,2H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 309.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 106645324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).