2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline

C15H16BrFN2 — CID 112582820

IUPAC2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1Br)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-3-13(15-7-5-11(17)9-18-15)19-14-6-4-10(2)8-12(14)16/h4-9,13,19H,3H2,1-2H3
InChIKeyWYXYNCQOJOJIJR-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.85
Rot. Bonds4

About 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline

2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline (PubChem CID 112582820) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
PubChem CID112582820
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1Br)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-3-13(15-7-5-11(17)9-18-15)19-14-6-4-10(2)8-12(14)16/h4-9,13,19H,3H2,1-2H3
InChIKeyWYXYNCQOJOJIJR-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938475
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927
2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938659
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
CID 115938582
3-N-[1-(5-fluoro-2-pyridinyl)propyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 115938549

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline (CID 112582820) is 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)cc1Br)c1ccc(F)cn1.
What is the InChIKey of 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline?
The InChIKey is WYXYNCQOJOJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-3-13(15-7-5-11(17)9-18-15)19-14-6-4-10(2)8-12(14)16/h4-9,13,19H,3H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline?
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline has a molecular weight of 323.21 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline is sourced from PubChem (CID 112582820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).