5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine

C15H19BrN2S — CID 115148718

IUPAC5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCC(C)(C)c1sccc1C
InChIInChI=1S/C15H19BrN2S/c1-10-5-6-19-13(10)15(3,4)9-18-14-11(2)7-12(16)8-17-14/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyBFIHZHHGAXUSTQ-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.91
Rot. Bonds4

About 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine

5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine (PubChem CID 115148718) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
PubChem CID115148718
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCC(C)(C)c1sccc1C
InChIInChI=1S/C15H19BrN2S/c1-10-5-6-19-13(10)15(3,4)9-18-14-11(2)7-12(16)8-17-14/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyBFIHZHHGAXUSTQ-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)pyridin-2-amine
CID 115148709
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
5-bromo-3-methyl-N-(3-methylthiophen-2-yl)pyridin-2-amine
CID 115148473
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine (CID 115148718) is 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine is Cc1cc(Br)cnc1NCC(C)(C)c1sccc1C.
What is the InChIKey of 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine?
The InChIKey is BFIHZHHGAXUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10-5-6-19-13(10)15(3,4)9-18-14-11(2)7-12(16)8-17-14/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine?
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 115148718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).