1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine

C17H20BrNS — CID 66143104

IUPAC1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccc(C)cc1
InChIInChI=1S/C17H20BrNS/c1-13-7-9-14(10-8-13)11-15(19-2)12-20-17-6-4-3-5-16(17)18/h3-10,15,19H,11-12H2,1-2H3
InChIKeyUEXBFDHTNCMJOV-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.68
Rot. Bonds6

About 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine

1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 66143104) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
PubChem CID66143104
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccc(C)cc1
InChIInChI=1S/C17H20BrNS/c1-13-7-9-14(10-8-13)11-15(19-2)12-20-17-6-4-3-5-16(17)18/h3-10,15,19H,11-12H2,1-2H3
InChIKeyUEXBFDHTNCMJOV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105238103
1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574564
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine (CID 66143104) is 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine is CNC(CSc1ccccc1Br)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is UEXBFDHTNCMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-13-7-9-14(10-8-13)11-15(19-2)12-20-17-6-4-3-5-16(17)18/h3-10,15,19H,11-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 350.33 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 66143104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).