[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine

C10H14BrNO3S — CID 61389794

IUPAC[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
SMILESCS(=O)(=O)CCOc1c(Br)cccc1CN
InChIInChI=1S/C10H14BrNO3S/c1-16(13,14)6-5-15-10-8(7-12)3-2-4-9(10)11/h2-4H,5-7,12H2,1H3
InChIKeyWNRLOUWWGVPYSM-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.33
Rot. Bonds5

About [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine

[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine (PubChem CID 61389794) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
PubChem CID61389794
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
SMILESCS(=O)(=O)CCOc1c(Br)cccc1CN
InChIInChI=1S/C10H14BrNO3S/c1-16(13,14)6-5-15-10-8(7-12)3-2-4-9(10)11/h2-4H,5-7,12H2,1H3
InChIKeyWNRLOUWWGVPYSM-UHFFFAOYSA-N
XLogP1.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene
CID 61392210
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
N-[[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63059040
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 61484994
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
2-[3-bromo-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095620
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine (CID 61389794) is [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine is CS(=O)(=O)CCOc1c(Br)cccc1CN.
What is the InChIKey of [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine?
The InChIKey is WNRLOUWWGVPYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-16(13,14)6-5-15-10-8(7-12)3-2-4-9(10)11/h2-4H,5-7,12H2,1H3.
What are the key properties of [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine?
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine has a molecular weight of 308.20 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine is sourced from PubChem (CID 61389794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).