1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine

C14H22BrNS — CID 82922352

IUPAC1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)CSc1ccccc1Br
InChIInChI=1S/C14H22BrNS/c1-3-11(4-2)9-12(16)10-17-14-8-6-5-7-13(14)15/h5-8,11-12H,3-4,9-10,16H2,1-2H3
InChIKeyFFPLPHHNPVAWIZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.69
Rot. Bonds7

About 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine

1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine (PubChem CID 82922352) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
PubChem CID82922352
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)CSc1ccccc1Br
InChIInChI=1S/C14H22BrNS/c1-3-11(4-2)9-12(16)10-17-14-8-6-5-7-13(14)15/h5-8,11-12H,3-4,9-10,16H2,1-2H3
InChIKeyFFPLPHHNPVAWIZ-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503
6-(2-bromophenyl)sulfanylhexan-3-amine
CID 106808159
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-amine
CID 66143092
1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 66145230
1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
CID 66145054
1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
CID 66143479
1-(2-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876530
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823615
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine (CID 82922352) is 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine is CCC(CC)CC(N)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine?
The InChIKey is FFPLPHHNPVAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-11(4-2)9-12(16)10-17-14-8-6-5-7-13(14)15/h5-8,11-12H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine?
1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine has a molecular weight of 316.31 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine is sourced from PubChem (CID 82922352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).