3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine

C14H15BrFN3 — CID 114887250

IUPAC3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
SMILESCCNC(c1cnccc1N)c1c(F)cccc1Br
InChIInChI=1S/C14H15BrFN3/c1-2-19-14(9-8-18-7-6-12(9)17)13-10(15)4-3-5-11(13)16/h3-8,14,19H,2H2,1H3,(H2,17,18)
InChIKeyVWPURNIBGXDNMW-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.26
Rot. Bonds4

About 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine

3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine (PubChem CID 114887250) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
PubChem CID114887250
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
SMILESCCNC(c1cnccc1N)c1c(F)cccc1Br
InChIInChI=1S/C14H15BrFN3/c1-2-19-14(9-8-18-7-6-12(9)17)13-10(15)4-3-5-11(13)16/h3-8,14,19H,2H2,1H3,(H2,17,18)
InChIKeyVWPURNIBGXDNMW-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
CID 114885595
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105280440
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
CID 79712859
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 106763059
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
N-[(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 114887322
N-[(3-bromo-2,6-difluorophenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 106944470

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine (CID 114887250) is 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine is CCNC(c1cnccc1N)c1c(F)cccc1Br.
What is the InChIKey of 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine?
The InChIKey is VWPURNIBGXDNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-19-14(9-8-18-7-6-12(9)17)13-10(15)4-3-5-11(13)16/h3-8,14,19H,2H2,1H3,(H2,17,18).
What are the key properties of 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine?
3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 114887250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).