2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine

C10H14BrNS — CID 117404152

IUPAC2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cccc(Br)c1C(C)CN
InChIInChI=1S/C10H14BrNS/c1-7(6-12)10-8(11)4-3-5-9(10)13-2/h3-5,7H,6,12H2,1-2H3
InChIKeyGGTIIMUIUYCJFP-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.23
Rot. Bonds3

About 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine

2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine (PubChem CID 117404152) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
PubChem CID117404152
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cccc(Br)c1C(C)CN
InChIInChI=1S/C10H14BrNS/c1-7(6-12)10-8(11)4-3-5-9(10)13-2/h3-5,7H,6,12H2,1-2H3
InChIKeyGGTIIMUIUYCJFP-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine (CID 117404152) is 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine is CSc1cccc(Br)c1C(C)CN.
What is the InChIKey of 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
The InChIKey is GGTIIMUIUYCJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-7(6-12)10-8(11)4-3-5-9(10)13-2/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine has a molecular weight of 260.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 117404152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).