N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine

C16H18BrFN2 — CID 107874557

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(NCc2cc(Br)ccc2F)nc1
InChIInChI=1S/C16H18BrFN2/c1-16(2,3)12-4-7-15(20-10-12)19-9-11-8-13(17)5-6-14(11)18/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyKPVPPKMPVXLHFX-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.89
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine (PubChem CID 107874557) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
PubChem CID107874557
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(NCc2cc(Br)ccc2F)nc1
InChIInChI=1S/C16H18BrFN2/c1-16(2,3)12-4-7-15(20-10-12)19-9-11-8-13(17)5-6-14(11)18/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyKPVPPKMPVXLHFX-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956191
N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
CID 63590046
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79174054
5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 107874733
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
[6-[(5-bromo-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264641
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674318
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine (CID 107874557) is N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine is CC(C)(C)c1ccc(NCc2cc(Br)ccc2F)nc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine?
The InChIKey is KPVPPKMPVXLHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-16(2,3)12-4-7-15(20-10-12)19-9-11-8-13(17)5-6-14(11)18/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine has a molecular weight of 337.24 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine is sourced from PubChem (CID 107874557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).