1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine

C14H21Cl2NS — CID 65321783

IUPAC1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSC(C)(C)C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NS/c1-14(2,3)18-9-12(17-4)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,8-9H2,1-4H3
InChIKeyTYVJHFCONXOXGK-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.66
Rot. Bonds5

About 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine

1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 65321783) has the molecular formula C14H21Cl2NS and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID65321783
Molecular FormulaC14H21Cl2NS
Molecular Weight306.30 g/mol
Exact Mass305.08
IUPAC Name1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSC(C)(C)C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NS/c1-14(2,3)18-9-12(17-4)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,8-9H2,1-4H3
InChIKeyTYVJHFCONXOXGK-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-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-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 65132723
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine (CID 65321783) is 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine is CNC(CSC(C)(C)C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is TYVJHFCONXOXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NS/c1-14(2,3)18-9-12(17-4)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,8-9H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 306.30 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 65321783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).