1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine

C16H18BrNS — CID 66160792

IUPAC1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
SMILESCNC(CSc1cccc(Br)c1)Cc1ccccc1
InChIInChI=1S/C16H18BrNS/c1-18-15(10-13-6-3-2-4-7-13)12-19-16-9-5-8-14(17)11-16/h2-9,11,15,18H,10,12H2,1H3
InChIKeyWZZPSVJMVJAVTC-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.37
Rot. Bonds6

About 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine

1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine (PubChem CID 66160792) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
PubChem CID66160792
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
SMILESCNC(CSc1cccc(Br)c1)Cc1ccccc1
InChIInChI=1S/C16H18BrNS/c1-18-15(10-13-6-3-2-4-7-13)12-19-16-9-5-8-14(17)11-16/h2-9,11,15,18H,10,12H2,1H3
InChIKeyWZZPSVJMVJAVTC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 66159819
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66158639
1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65143473
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105238369
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine (CID 66160792) is 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine is CNC(CSc1cccc(Br)c1)Cc1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine?
The InChIKey is WZZPSVJMVJAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-18-15(10-13-6-3-2-4-7-13)12-19-16-9-5-8-14(17)11-16/h2-9,11,15,18H,10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine?
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine has a molecular weight of 336.30 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 66160792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).