1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine

C11H16BrNO2S — CID 117491422

IUPAC1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(Br)cccc1S(C)(=O)=O
InChIInChI=1S/C11H16BrNO2S/c1-11(2,13)7-8-9(12)5-4-6-10(8)16(3,14)15/h4-6H,7,13H2,1-3H3
InChIKeyPXZWNFDJDSBGJE-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine

1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine (PubChem CID 117491422) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine
PubChem CID117491422
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(Br)cccc1S(C)(=O)=O
InChIInChI=1S/C11H16BrNO2S/c1-11(2,13)7-8-9(12)5-4-6-10(8)16(3,14)15/h4-6H,7,13H2,1-3H3
InChIKeyPXZWNFDJDSBGJE-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
1,2-diethyl-3-methylsulfonylbenzene
CID 19834656
1-[3,4-bis(methylsulfonyl)phenyl]-2-methylpropan-2-amine
CID 117490792
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
CID 131218128
(2-bromo-6-methylphenyl)methanesulfonamide
CID 130648675
3-bromo-2-tert-butylbenzenesulfonic acid
CID 174858905
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434
2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline
CID 122156143
2-(2-bromo-N-methyl-6-methylsulfonylanilino)acetic acid
CID 120965273
3-methylsulfonyl-1-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426460
1-N-[2,4-bis(methylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
CID 78954539

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine (CID 117491422) is 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1c(Br)cccc1S(C)(=O)=O.
What is the InChIKey of 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine?
The InChIKey is PXZWNFDJDSBGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-11(2,13)7-8-9(12)5-4-6-10(8)16(3,14)15/h4-6H,7,13H2,1-3H3.
What are the key properties of 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine?
1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine has a molecular weight of 306.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methylsulfonylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117491422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).