2-(2-bromophenyl)sulfanylcyclohexan-1-amine

C12H16BrNS — CID 64614964

IUPAC2-(2-bromophenyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1Sc1ccccc1Br
InChIInChI=1S/C12H16BrNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1,3,5,7,10,12H,2,4,6,8,14H2
InChIKeyIPZXHRJGGLRGLN-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.81
Rot. Bonds2

About 2-(2-bromophenyl)sulfanylcyclohexan-1-amine

2-(2-bromophenyl)sulfanylcyclohexan-1-amine (PubChem CID 64614964) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanylcyclohexan-1-amine
PubChem CID64614964
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC Name2-(2-bromophenyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1Sc1ccccc1Br
InChIInChI=1S/C12H16BrNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1,3,5,7,10,12H,2,4,6,8,14H2
InChIKeyIPZXHRJGGLRGLN-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Bromophenyl)sulfanyl]ethan-1-amine
CID 12130483
1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene
CID 420615
1-((2-Aminoethyl)sulfanyl)-4-bromobenzene hydrochloride
CID 17480033
2-{[(4-Bromophenyl)sulfanyl]methyl}piperidine
CID 13058743
1-(4-Bromophenyl)sulfanylpropan-2-amine
CID 13682065
1-(2-Bromophenyl)sulfanylpropan-2-amine
CID 64613297
1-(3-Bromophenyl)sulfanylpropan-2-amine
CID 64634759
trans-2-Phenylthiocyclohexylamine
CID 13403702
2-(Phenylsulfanyl)cyclohexan-1-amine
CID 13403701
3-[(4-Bromophenyl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
CID 13018773
2-(2-Bromophenyl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 43753043
3-(2-Bromophenyl)sulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753392

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanylcyclohexan-1-amine (CID 64614964) is 2-(2-bromophenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanylcyclohexan-1-amine is NC1CCCCC1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanylcyclohexan-1-amine?
The InChIKey is IPZXHRJGGLRGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1,3,5,7,10,12H,2,4,6,8,14H2.
What are the key properties of 2-(2-bromophenyl)sulfanylcyclohexan-1-amine?
2-(2-bromophenyl)sulfanylcyclohexan-1-amine has a molecular weight of 286.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64614964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).