1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine

C12H18BrNOS — CID 65325611

IUPAC1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNOS/c1-14-10(8-16-3)6-9-7-11(15-2)4-5-12(9)13/h4-5,7,10,14H,6,8H2,1-3H3
InChIKeyYXCZJFYFLTWAHH-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 65325611) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID65325611
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNOS/c1-14-10(8-16-3)6-9-7-11(15-2)4-5-12(9)13/h4-5,7,10,14H,6,8H2,1-3H3
InChIKeyYXCZJFYFLTWAHH-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
CID 65322937
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 65325611) is 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is YXCZJFYFLTWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-14-10(8-16-3)6-9-7-11(15-2)4-5-12(9)13/h4-5,7,10,14H,6,8H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 304.25 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 65325611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).