(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine

C14H14BrNS — CID 78938611

IUPAC(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1Sc1ccccc1Br
InChIInChI=1S/C14H14BrNS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10H,16H2,1H3/t10-/m1/s1
InChIKeyFYVKJXYUMLXMSP-SNVBAGLBSA-N
MW308.24 g/mol
LogP4.62
Rot. Bonds3

About (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine

(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine (PubChem CID 78938611) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
PubChem CID78938611
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1Sc1ccccc1Br
InChIInChI=1S/C14H14BrNS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10H,16H2,1H3/t10-/m1/s1
InChIKeyFYVKJXYUMLXMSP-SNVBAGLBSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]ethanamine
CID 63532454
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992842
(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148
1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene
CID 66735184
(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 78938929
(1S)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 29040516
1-[2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750875

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine (CID 78938611) is (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine is C[C@@H](N)c1ccccc1Sc1ccccc1Br.
What is the InChIKey of (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine?
The InChIKey is FYVKJXYUMLXMSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10H,16H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine?
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine has a molecular weight of 308.24 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 78938611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).