(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine

C14H22BrNO2S — CID 106724120

IUPAC(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine
SMILESC[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br
InChIInChI=1S/C14H22BrNO2S/c1-11(12-7-5-6-8-13(12)15)16-9-10-19(17,18)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyVCJRKHVJOGMRPT-LLVKDONJSA-N
MW348.31 g/mol
LogP3.31
Rot. Bonds5

About (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine

(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine (PubChem CID 106724120) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine
PubChem CID106724120
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine
SMILESC[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br
InChIInChI=1S/C14H22BrNO2S/c1-11(12-7-5-6-8-13(12)15)16-9-10-19(17,18)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyVCJRKHVJOGMRPT-LLVKDONJSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
CID 106724109
3-[1-(2-bromophenyl)ethylamino]-N-methylpropane-1-sulfonamide
CID 75442618
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
N-[(1R)-1-(2-bromophenyl)ethyl]but-3-yn-1-amine
CID 81383342
2-(2-bromophenyl)-4-tert-butylsulfonylbutan-1-ol
CID 106734419
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-(2-tert-butylsulfonylethyl)-1-(3-chlorophenyl)ethanamine
CID 103710330
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 104926848
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine (CID 106724120) is (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine is C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine?
The InChIKey is VCJRKHVJOGMRPT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-11(12-7-5-6-8-13(12)15)16-9-10-19(17,18)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine?
(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine has a molecular weight of 348.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine is sourced from PubChem (CID 106724120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).