3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine

C10H14BrNS — CID 117404148

IUPAC3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cccc(Br)c1CCCN
InChIInChI=1S/C10H14BrNS/c1-13-10-6-2-5-9(11)8(10)4-3-7-12/h2,5-6H,3-4,7,12H2,1H3
InChIKeyZWOWAUADWIMYOW-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.06
Rot. Bonds4

About 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine

3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine (PubChem CID 117404148) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
PubChem CID117404148
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cccc(Br)c1CCCN
InChIInChI=1S/C10H14BrNS/c1-13-10-6-2-5-9(11)8(10)4-3-7-12/h2,5-6H,3-4,7,12H2,1H3
InChIKeyZWOWAUADWIMYOW-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-6-methylsulfanylphenyl)butan-1-amine
CID 117437841
1-bromo-2-iodo-3-methylsulfanylbenzene
CID 91881110
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404152
2-(2-bromo-6-fluorophenyl)ethanamine
CID 83384131
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
4-(5-bromo-2-methylsulfanylphenyl)butan-1-amine
CID 117437843
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
CID 117285805
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
(2-bromo-6-methylsulfanylphenyl)hydrazine
CID 131212984
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine (CID 117404148) is 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine is CSc1cccc(Br)c1CCCN.
What is the InChIKey of 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
The InChIKey is ZWOWAUADWIMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-13-10-6-2-5-9(11)8(10)4-3-7-12/h2,5-6H,3-4,7,12H2,1H3.
What are the key properties of 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine?
3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine has a molecular weight of 260.20 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 117404148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).