1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine

C12H18ClNS — CID 114864215

IUPAC1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1SCC(C)C
InChIInChI=1S/C12H18ClNS/c1-9(2)8-15-12-5-4-11(13)6-10(12)7-14-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyLMTQXMSTEPIUII-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.81
Rot. Bonds5

About 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 114864215) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID114864215
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1SCC(C)C
InChIInChI=1S/C12H18ClNS/c1-9(2)8-15-12-5-4-11(13)6-10(12)7-14-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyLMTQXMSTEPIUII-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine 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-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850
N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 114864516
1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865010
N-methyl-1-[3-methyl-4-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805331
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 63809725
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine (CID 114864215) is 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1SCC(C)C.
What is the InChIKey of 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is LMTQXMSTEPIUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-9(2)8-15-12-5-4-11(13)6-10(12)7-14-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 243.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114864215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).