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

C12H18BrNOS — CID 62693196

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNOS/c1-14-11(8-16-3)7-9-6-10(13)4-5-12(9)15-2/h4-6,11,14H,7-8H2,1-3H3
InChIKeyDRSNAMFSXXTIRN-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.95
Rot. Bonds6

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

1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 62693196) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID62693196
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNOS/c1-14-11(8-16-3)7-9-6-10(13)4-5-12(9)15-2/h4-6,11,14H,7-8H2,1-3H3
InChIKeyDRSNAMFSXXTIRN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-2-methoxyphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346330
1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
CID 65092395
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226128
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 62693196) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is DRSNAMFSXXTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-14-11(8-16-3)7-9-6-10(13)4-5-12(9)15-2/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(5-bromo-2-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-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62693196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).