1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine

C18H22BrNS — CID 63538069

IUPAC1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
SMILESCC(C)c1ccc(SC(c2ccccc2Br)C(C)N)cc1
InChIInChI=1S/C18H22BrNS/c1-12(2)14-8-10-15(11-9-14)21-18(13(3)20)16-6-4-5-7-17(16)19/h4-13,18H,20H2,1-3H3
InChIKeyKSEYJNAYJQWVCD-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.75
Rot. Bonds5

About 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine

1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine (PubChem CID 63538069) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
PubChem CID63538069
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
SMILESCC(C)c1ccc(SC(c2ccccc2Br)C(C)N)cc1
InChIInChI=1S/C18H22BrNS/c1-12(2)14-8-10-15(11-9-14)21-18(13(3)20)16-6-4-5-7-17(16)19/h4-13,18H,20H2,1-3H3
InChIKeyKSEYJNAYJQWVCD-UHFFFAOYSA-N
XLogP5.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019158
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 55016619
1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 55015420
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 55246419
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63457818

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine (CID 63538069) is 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine is CC(C)c1ccc(SC(c2ccccc2Br)C(C)N)cc1.
What is the InChIKey of 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine?
The InChIKey is KSEYJNAYJQWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-12(2)14-8-10-15(11-9-14)21-18(13(3)20)16-6-4-5-7-17(16)19/h4-13,18H,20H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine?
1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine has a molecular weight of 364.35 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 63538069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).