4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline

C15H16BrFN2 — CID 112582832

IUPAC4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
SMILESCCC(Nc1ccc(Br)c(C)c1)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-3-14(15-7-4-11(17)9-18-15)19-12-5-6-13(16)10(2)8-12/h4-9,14,19H,3H2,1-2H3
InChIKeyOQEBFMBFCLDUGF-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.85
Rot. Bonds4

About 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline

4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline (PubChem CID 112582832) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
PubChem CID112582832
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
SMILESCCC(Nc1ccc(Br)c(C)c1)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-3-14(15-7-4-11(17)9-18-15)19-12-5-6-13(16)10(2)8-12/h4-9,14,19H,3H2,1-2H3
InChIKeyOQEBFMBFCLDUGF-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

4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938475
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline (CID 112582832) is 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline is CCC(Nc1ccc(Br)c(C)c1)c1ccc(F)cn1.
What is the InChIKey of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline?
The InChIKey is OQEBFMBFCLDUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-3-14(15-7-4-11(17)9-18-15)19-12-5-6-13(16)10(2)8-12/h4-9,14,19H,3H2,1-2H3.
What are the key properties of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline?
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-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 4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline is sourced from PubChem (CID 112582832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).