3-bromo-N-tert-butyl-4-methylpyridin-2-amine

C10H15BrN2 — CID 106876455

IUPAC3-bromo-N-tert-butyl-4-methylpyridin-2-amine
SMILESCc1ccnc(NC(C)(C)C)c1Br
InChIInChI=1S/C10H15BrN2/c1-7-5-6-12-9(8(7)11)13-10(2,3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyORBLBIFOIFGVIL-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.36
Rot. Bonds1

About 3-bromo-N-tert-butyl-4-methylpyridin-2-amine

3-bromo-N-tert-butyl-4-methylpyridin-2-amine (PubChem CID 106876455) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-4-methylpyridin-2-amine
PubChem CID106876455
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-bromo-N-tert-butyl-4-methylpyridin-2-amine
SMILESCc1ccnc(NC(C)(C)C)c1Br
InChIInChI=1S/C10H15BrN2/c1-7-5-6-12-9(8(7)11)13-10(2,3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyORBLBIFOIFGVIL-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
3-bromo-N-(3-chloro-2-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 106879063
N,3-ditert-butyl-4-methylpyridin-2-amine
CID 87337731
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-tert-butyl-4-methylpyridin-2-amine (CID 106876455) is 3-bromo-N-tert-butyl-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-tert-butyl-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-tert-butyl-4-methylpyridin-2-amine is Cc1ccnc(NC(C)(C)C)c1Br.
What is the InChIKey of 3-bromo-N-tert-butyl-4-methylpyridin-2-amine?
The InChIKey is ORBLBIFOIFGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7-5-6-12-9(8(7)11)13-10(2,3)4/h5-6H,1-4H3,(H,12,13).
What are the key properties of 3-bromo-N-tert-butyl-4-methylpyridin-2-amine?
3-bromo-N-tert-butyl-4-methylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-4-methylpyridin-2-amine is sourced from PubChem (CID 106876455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).