2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine

C14H13Br2NS — CID 63819028

IUPAC2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Sc1cccc(Br)c1
InChIInChI=1S/C14H13Br2NS/c15-11-2-1-3-13(8-11)18-14-9-12(16)5-4-10(14)6-7-17/h1-5,8-9H,6-7,17H2
InChIKeyQKTFKSBFZMJCEF-UHFFFAOYSA-N
MW387.14 g/mol
LogP4.86
Rot. Bonds4

About 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine

2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine (PubChem CID 63819028) has the molecular formula C14H13Br2NS and a molecular weight of 387.14 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
PubChem CID63819028
Molecular FormulaC14H13Br2NS
Molecular Weight387.14 g/mol
Exact Mass384.91
IUPAC Name2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Sc1cccc(Br)c1
InChIInChI=1S/C14H13Br2NS/c15-11-2-1-3-13(8-11)18-14-9-12(16)5-4-10(14)6-7-17/h1-5,8-9H,6-7,17H2
InChIKeyQKTFKSBFZMJCEF-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.14
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63818081
[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
CID 63807558
2-[4-bromo-2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 63818539
2-(4-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63818147
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
2-(2,4-dibromophenyl)ethanamine
CID 73012416
1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969698
2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine
CID 63819496
3-[2-(2-aminoethyl)-5-bromophenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 55238740
2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651307
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
2-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]ethanamine
CID 63820383

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine (CID 63819028) is 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine is NCCc1ccc(Br)cc1Sc1cccc(Br)c1.
What is the InChIKey of 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine?
The InChIKey is QKTFKSBFZMJCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NS/c15-11-2-1-3-13(8-11)18-14-9-12(16)5-4-10(14)6-7-17/h1-5,8-9H,6-7,17H2.
What are the key properties of 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine?
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine has a molecular weight of 387.14 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63819028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).