1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine

C15H14Cl3NS — CID 63537236

IUPAC1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3NS/c1-9(19)15(11-4-2-3-5-12(11)17)20-14-8-10(16)6-7-13(14)18/h2-9,15H,19H2,1H3
InChIKeyPAGXWXRRADYBHV-UHFFFAOYSA-N
MW346.71 g/mol
LogP5.83
Rot. Bonds4

About 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine

1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine (PubChem CID 63537236) has the molecular formula C15H14Cl3NS and a molecular weight of 346.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
PubChem CID63537236
Molecular FormulaC15H14Cl3NS
Molecular Weight346.71 g/mol
Exact Mass344.99
IUPAC Name1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3NS/c1-9(19)15(11-4-2-3-5-12(11)17)20-14-8-10(16)6-7-13(14)18/h2-9,15H,19H2,1H3
InChIKeyPAGXWXRRADYBHV-UHFFFAOYSA-N
XLogP5.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.71
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 63538237
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537905
3-[(2-amino-4-chlorophenyl)sulfanyl-(2-chlorophenyl)methyl]pentane-2,4-dione
CID 42646563
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
2-[2-amino-1-(2-chlorophenyl)propyl]sulfanyl-1H-pyrimidin-6-one
CID 55022675
1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine
CID 55222456
1-(2-chlorophenyl)-1-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 63538245
4-[1-(2,5-dichlorophenyl)sulfanylethyl]aniline
CID 61263164
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine (CID 63537236) is 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine is CC(N)C(Sc1cc(Cl)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The InChIKey is PAGXWXRRADYBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NS/c1-9(19)15(11-4-2-3-5-12(11)17)20-14-8-10(16)6-7-13(14)18/h2-9,15H,19H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine has a molecular weight of 346.71 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 63537236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).