N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine

C13H12BrFN2 — CID 103934256

IUPACN-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
SMILESCc1ccc(CNc2ccc(F)nc2)cc1Br
InChIInChI=1S/C13H12BrFN2/c1-9-2-3-10(6-12(9)14)7-16-11-4-5-13(15)17-8-11/h2-6,8,16H,7H2,1H3
InChIKeyCSCZGPFGSSPBAA-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.90
Rot. Bonds3

About N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine

N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103934256) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
PubChem CID103934256
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
SMILESCc1ccc(CNc2ccc(F)nc2)cc1Br
InChIInChI=1S/C13H12BrFN2/c1-9-2-3-10(6-12(9)14)7-16-11-4-5-13(15)17-8-11/h2-6,8,16H,7H2,1H3
InChIKeyCSCZGPFGSSPBAA-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.90
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-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
N-[(3-bromo-4-methylphenyl)methyl]-3-iodo-4-methylaniline
CID 105401249
N-[(3-bromo-4-methylphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115876094
6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 103825810
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 113344499
6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
CID 103825772
1-N-[(3-bromo-4-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 105401165
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
5-[(3-bromo-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 103756678
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine (CID 103934256) is N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine is Cc1ccc(CNc2ccc(F)nc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is CSCZGPFGSSPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-9-2-3-10(6-12(9)14)7-16-11-4-5-13(15)17-8-11/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine?
N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 295.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103934256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).