1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine

C18H22BrNS — CID 66145230

IUPAC1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(CC(N)CSc2ccccc2Br)cc1
InChIInChI=1S/C18H22BrNS/c1-13(2)15-9-7-14(8-10-15)11-16(20)12-21-18-6-4-3-5-17(18)19/h3-10,13,16H,11-12,20H2,1-2H3
InChIKeyADCSPCPKDGMOSK-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.23
Rot. Bonds6

About 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine

1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 66145230) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID66145230
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(CC(N)CSc2ccccc2Br)cc1
InChIInChI=1S/C18H22BrNS/c1-13(2)15-9-7-14(8-10-15)11-16(20)12-21-18-6-4-3-5-17(18)19/h3-10,13,16H,11-12,20H2,1-2H3
InChIKeyADCSPCPKDGMOSK-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
CID 82922352
1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
CID 66143479
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(2-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876530
1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823615
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-amine
CID 66143092
1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844363

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine (CID 66145230) is 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine is CC(C)c1ccc(CC(N)CSc2ccccc2Br)cc1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is ADCSPCPKDGMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-13(2)15-9-7-14(8-10-15)11-16(20)12-21-18-6-4-3-5-17(18)19/h3-10,13,16H,11-12,20H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 364.35 g/mol, XLogP of 5.23, 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-3-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 66145230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).