1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine

C16H17Cl2NS — CID 66097361

IUPAC1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NS/c1-11-4-2-3-5-16(11)20-10-14(19)8-12-6-7-13(17)9-15(12)18/h2-7,9,14H,8,10,19H2,1H3
InChIKeyPJCWPXPRZWZVPG-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.96
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine

1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66097361) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID66097361
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NS/c1-11-4-2-3-5-16(11)20-10-14(19)8-12-6-7-13(17)9-15(12)18/h2-7,9,14H,8,10,19H2,1H3
InChIKeyPJCWPXPRZWZVPG-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098008
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
[1-(2-chlorophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105237715
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 107560396
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 66097361) is 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine is Cc1ccccc1SCC(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is PJCWPXPRZWZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-11-4-2-3-5-16(11)20-10-14(19)8-12-6-7-13(17)9-15(12)18/h2-7,9,14H,8,10,19H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 326.29 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66097361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).