2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine

C12H18ClNS — CID 63835994

IUPAC2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
SMILESCC(C)(C)Sc1cccc(Cl)c1CCN
InChIInChI=1S/C12H18ClNS/c1-12(2,3)15-11-6-4-5-10(13)9(11)7-8-14/h4-6H,7-8,14H2,1-3H3
InChIKeyGMHDUCNSVPJVTG-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.73
Rot. Bonds3

About 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine

2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine (PubChem CID 63835994) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
PubChem CID63835994
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
SMILESCC(C)(C)Sc1cccc(Cl)c1CCN
InChIInChI=1S/C12H18ClNS/c1-12(2,3)15-11-6-4-5-10(13)9(11)7-8-14/h4-6H,7-8,14H2,1-3H3
InChIKeyGMHDUCNSVPJVTG-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine 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

2-[2-(4-tert-butylphenyl)sulfanyl-6-chlorophenyl]ethanamine
CID 63819658
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614
N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63805892
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63820479
2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836065
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63959947
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
CID 65133097
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine?
The IUPAC name of 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine (CID 63835994) is 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine?
The canonical SMILES for 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine is CC(C)(C)Sc1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine?
The InChIKey is GMHDUCNSVPJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-12(2,3)15-11-6-4-5-10(13)9(11)7-8-14/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine?
2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine has a molecular weight of 243.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine is sourced from PubChem (CID 63835994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).