1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine

C15H15BrClNS — CID 63537081

IUPAC1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNS/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3
InChIKeyCEHNSHZHPCCGLC-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.28
Rot. Bonds4

About 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine

1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine (PubChem CID 63537081) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
PubChem CID63537081
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC Name1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNS/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3
InChIKeyCEHNSHZHPCCGLC-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537905
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 62646457
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
CID 63371446

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine (CID 63537081) is 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine is CC(N)C(Sc1cccc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine?
The InChIKey is CEHNSHZHPCCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine?
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine has a molecular weight of 356.72 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 63537081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).