6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine

C34H39BrF2N4 — CID 160779763

IUPAC6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
SMILESCC(C)(CNc1cccc(Br)n1)c1ccc(F)cc1.CC(C)=Cc1cccc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN2.C15H16BrFN2/c1-14(2)12-17-6-5-7-18(22-17)21-13-19(3,4)15-8-10-16(20)11-9-15;1-15(2,11-6-8-12(17)9-7-11)10-18-14-5-3-4-13(16)19-14/h5-12H,13H2,1-4H3,(H,21,22);3-9H,10H2,1-2H3,(H,18,19)
InChIKeySAKMYNNPUBRQOZ-UHFFFAOYSA-N
MW621.61 g/mol
LogP9.41
Rot. Bonds9

About 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine

6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine (PubChem CID 160779763) has the molecular formula C34H39BrF2N4 and a molecular weight of 621.61 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
PubChem CID160779763
Molecular FormulaC34H39BrF2N4
Molecular Weight621.61 g/mol
Exact Mass620.23
IUPAC Name6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
SMILESCC(C)(CNc1cccc(Br)n1)c1ccc(F)cc1.CC(C)=Cc1cccc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN2.C15H16BrFN2/c1-14(2)12-17-6-5-7-18(22-17)21-13-19(3,4)15-8-10-16(20)11-9-15;1-15(2,11-6-8-12(17)9-7-11)10-18-14-5-3-4-13(16)19-14/h5-12H,13H2,1-4H3,(H,21,22);3-9H,10H2,1-2H3,(H,18,19)
InChIKeySAKMYNNPUBRQOZ-UHFFFAOYSA-N
XLogP9.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.61
LogP ≤ 59.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methyl-2,4'-bipyridine-2',6-diamine
CID 66936966
5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 164620536
4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine
CID 72702007
4-bromo-7-fluoro-3-phenyl-N-propan-2-ylisoquinolin-1-amine
CID 101808059
N-[[3-(bromomethyl)-5-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-4,6-dimethylpyridin-2-amine
CID 58296369
N-[2-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 23000378
(1S,2R)-N'-[5-(4-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-2-methyl-1-phenylpropane-1,3-diamine
CID 53705752
N'-[5-(4-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-1-phenylpropane-1,3-diamine
CID 53720082
N'-[5-(4-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-2,2-dimethyl-1-phenylpropane-1,3-diamine
CID 53871249
6-bromo-N-(2-(4-fluorophenyl)-2-methylpropyl)pyridin-2-amine
CID 54591862
N-(2-(4-fluorophenyl)-2-methylpropyl)-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 54591864
6-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
CID 54591942

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine (CID 160779763) is 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine is CC(C)(CNc1cccc(Br)n1)c1ccc(F)cc1.CC(C)=Cc1cccc(NCC(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
The InChIKey is SAKMYNNPUBRQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2.C15H16BrFN2/c1-14(2)12-17-6-5-7-18(22-17)21-13-19(3,4)15-8-10-16(20)11-9-15;1-15(2,11-6-8-12(17)9-7-11)10-18-14-5-3-4-13(16)19-14/h5-12H,13H2,1-4H3,(H,21,22);3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine has a molecular weight of 621.61 g/mol, XLogP of 9.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine is sourced from PubChem (CID 160779763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).