1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine

C11H15Cl2NS — CID 66229738

IUPAC1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-11(2,14)7-15-6-8-3-4-9(12)5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyJLQZPAROODZTRX-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.96
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine

1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 66229738) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
PubChem CID66229738
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC Name1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-11(2,14)7-15-6-8-3-4-9(12)5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyJLQZPAROODZTRX-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-4-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 106864070
1-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 114849741
1-N-[(2,4-dichlorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200655
2,4-dichloro-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]hexylsulfanylmethyl]benzene
CID 5078531
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
1-[(2,5-dimethylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66223800
5-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116571231
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181081
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027
2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene
CID 142470358
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66223577

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine (CID 66229738) is 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine is CC(C)(N)CSCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is JLQZPAROODZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c1-11(2,14)7-15-6-8-3-4-9(12)5-10(8)13/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine?
1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 264.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66229738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).