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

C10H15ClN2 — CID 162501216

IUPAC4-tert-butyl-3-chloro-N-methylpyridin-2-amine
SMILESCNc1nccc(C(C)(C)C)c1Cl
InChIInChI=1S/C10H15ClN2/c1-10(2,3)7-5-6-13-9(12-4)8(7)11/h5-6H,1-4H3,(H,12,13)
InChIKeyBWGKOTUMKUKRNA-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.07
Rot. Bonds1

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

4-tert-butyl-3-chloro-N-methylpyridin-2-amine (PubChem CID 162501216) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-tert-butyl-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-3-chloro-N-methylpyridin-2-amine
PubChem CID162501216
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-tert-butyl-3-chloro-N-methylpyridin-2-amine
SMILESCNc1nccc(C(C)(C)C)c1Cl
InChIInChI=1S/C10H15ClN2/c1-10(2,3)7-5-6-13-9(12-4)8(7)11/h5-6H,1-4H3,(H,12,13)
InChIKeyBWGKOTUMKUKRNA-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of 4-tert-butyl-3-chloro-N-methylpyridin-2-amine (CID 162501216) is 4-tert-butyl-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 4-tert-butyl-3-chloro-N-methylpyridin-2-amine is CNc1nccc(C(C)(C)C)c1Cl.
What is the InChIKey of 4-tert-butyl-3-chloro-N-methylpyridin-2-amine?
The InChIKey is BWGKOTUMKUKRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,3)7-5-6-13-9(12-4)8(7)11/h5-6H,1-4H3,(H,12,13).
What are the key properties of 4-tert-butyl-3-chloro-N-methylpyridin-2-amine?
4-tert-butyl-3-chloro-N-methylpyridin-2-amine has a molecular weight of 198.70 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 162501216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).