6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine

C14H14BrFN2 — CID 114051614

IUPAC6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
SMILESCCC(Nc1ccc(Br)nc1)c1ccc(F)cc1
InChIInChI=1S/C14H14BrFN2/c1-2-13(10-3-5-11(16)6-4-10)18-12-7-8-14(15)17-9-12/h3-9,13,18H,2H2,1H3
InChIKeyMMGYAUKUCKNGRR-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.55
Rot. Bonds4

About 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine

6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine (PubChem CID 114051614) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
PubChem CID114051614
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
SMILESCCC(Nc1ccc(Br)nc1)c1ccc(F)cc1
InChIInChI=1S/C14H14BrFN2/c1-2-13(10-3-5-11(16)6-4-10)18-12-7-8-14(15)17-9-12/h3-9,13,18H,2H2,1H3
InChIKeyMMGYAUKUCKNGRR-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine
CID 66350122
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
N-[1-(4-fluorophenyl)propyl]-1,3-benzodioxol-5-amine
CID 43196975
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine (CID 114051614) is 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine is CCC(Nc1ccc(Br)nc1)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine?
The InChIKey is MMGYAUKUCKNGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-2-13(10-3-5-11(16)6-4-10)18-12-7-8-14(15)17-9-12/h3-9,13,18H,2H2,1H3.
What are the key properties of 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine?
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine has a molecular weight of 309.18 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine is sourced from PubChem (CID 114051614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).