1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine

C15H15BrClNS — CID 63538416

IUPAC1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNS/c1-10(18)15(11-2-6-13(17)7-3-11)19-14-8-4-12(16)5-9-14/h2-10,15H,18H2,1H3
InChIKeyGLLJLQIDZGQGHM-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.28
Rot. Bonds4

About 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine

1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine (PubChem CID 63538416) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
PubChem CID63538416
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC Name1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNS/c1-10(18)15(11-2-6-13(17)7-3-11)19-14-8-4-12(16)5-9-14/h2-10,15H,18H2,1H3
InChIKeyGLLJLQIDZGQGHM-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-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537905
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(4-chlorophenyl)-1-(2-methylphenyl)sulfanylpropan-2-amine
CID 55015536
1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 63538069
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
1-(4-bromophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 62255431
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
CID 106922073

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine (CID 63538416) is 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine is CC(N)C(Sc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine?
The InChIKey is GLLJLQIDZGQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c1-10(18)15(11-2-6-13(17)7-3-11)19-14-8-4-12(16)5-9-14/h2-10,15H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine?
1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-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)sulfanyl-1-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 63538416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).