1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

C17H20BrNOS — CID 65143473

IUPAC1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C17H20BrNOS/c1-19-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(20-2)16(18)11-13/h3-9,11,14,19H,10,12H2,1-2H3
InChIKeyNXJPIFATKQIUCO-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.38
Rot. Bonds7

About 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (PubChem CID 65143473) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
PubChem CID65143473
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C17H20BrNOS/c1-19-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(20-2)16(18)11-13/h3-9,11,14,19H,10,12H2,1-2H3
InChIKeyNXJPIFATKQIUCO-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142128
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115818212
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715439
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (CID 65143473) is 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is CNC(CSc1ccccc1)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is NXJPIFATKQIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-19-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(20-2)16(18)11-13/h3-9,11,14,19H,10,12H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 366.32 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 65143473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).