5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine

C15H17BrN2S — CID 115148658

IUPAC5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
SMILESCSc1ccc(CCNc2ncc(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2S/c1-11-9-13(16)10-18-15(11)17-8-7-12-3-5-14(19-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeySBBBIXMQFWTJKD-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.53
Rot. Bonds5

About 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine

5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine (PubChem CID 115148658) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
PubChem CID115148658
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
SMILESCSc1ccc(CCNc2ncc(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2S/c1-11-9-13(16)10-18-15(11)17-8-7-12-3-5-14(19-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeySBBBIXMQFWTJKD-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 115148660
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799
4-bromo-1-N-[2-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
CID 115125527
4-bromo-2,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 63448979
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine (CID 115148658) is 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine is CSc1ccc(CCNc2ncc(Br)cc2C)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine?
The InChIKey is SBBBIXMQFWTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-11-9-13(16)10-18-15(11)17-8-7-12-3-5-14(19-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine?
5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine has a molecular weight of 337.29 g/mol, XLogP of 4.53, 5 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-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115148658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).