2-(4-chloro-2-propylsulfanylphenyl)ethanamine

C11H16ClNS — CID 114865787

IUPAC2-(4-chloro-2-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cc(Cl)ccc1CCN
InChIInChI=1S/C11H16ClNS/c1-2-7-14-11-8-10(12)4-3-9(11)5-6-13/h3-4,8H,2,5-7,13H2,1H3
InChIKeySAEJJFRGAOEOOC-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-chloro-2-propylsulfanylphenyl)ethanamine

2-(4-chloro-2-propylsulfanylphenyl)ethanamine (PubChem CID 114865787) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-(4-chloro-2-propylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-propylsulfanylphenyl)ethanamine
PubChem CID114865787
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-(4-chloro-2-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cc(Cl)ccc1CCN
InChIInChI=1S/C11H16ClNS/c1-2-7-14-11-8-10(12)4-3-9(11)5-6-13/h3-4,8H,2,5-7,13H2,1H3
InChIKeySAEJJFRGAOEOOC-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-propylsulfanylphenyl)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-[4-chloro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107762530
2-(2-butylsulfanyl-5-chlorophenyl)ethanamine
CID 114866234
2-[4-chloro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 114866343
4-(5-chloro-2-propylsulfanylphenyl)butanoic acid
CID 82264644
2-[4-chloro-2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 114866036
1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine
CID 82264654
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol
CID 114865536
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine
CID 63819496

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-propylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-propylsulfanylphenyl)ethanamine (CID 114865787) is 2-(4-chloro-2-propylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-propylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-propylsulfanylphenyl)ethanamine is CCCSc1cc(Cl)ccc1CCN.
What is the InChIKey of 2-(4-chloro-2-propylsulfanylphenyl)ethanamine?
The InChIKey is SAEJJFRGAOEOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-2-7-14-11-8-10(12)4-3-9(11)5-6-13/h3-4,8H,2,5-7,13H2,1H3.
What are the key properties of 2-(4-chloro-2-propylsulfanylphenyl)ethanamine?
2-(4-chloro-2-propylsulfanylphenyl)ethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-propylsulfanylphenyl)ethanamine is sourced from PubChem (CID 114865787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).