1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine

C15H24ClNS — CID 107750950

IUPAC1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(SCCC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNS/c1-5-17-12(4)14-7-6-13(10-15(14)16)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyUSDALLDLTWEXRU-UHFFFAOYSA-N
MW285.88 g/mol
LogP5.15
Rot. Bonds7

About 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine

1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine (PubChem CID 107750950) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine
PubChem CID107750950
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(SCCC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNS/c1-5-17-12(4)14-7-6-13(10-15(14)16)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyUSDALLDLTWEXRU-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine 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

N-[1-(2-chloro-4-pentylsulfanylphenyl)ethyl]propan-1-amine
CID 107750604
N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
1-chloro-2-fluoro-4-(3-methylbutylsulfanyl)benzene
CID 142501814
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
1-[2-chloro-4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 114790583
2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol
CID 104552335
1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202259
1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959054
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
1-[2-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103288710
N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine
CID 20573123

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine (CID 107750950) is 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(SCCC(C)C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine?
The InChIKey is USDALLDLTWEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-5-17-12(4)14-7-6-13(10-15(14)16)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine has a molecular weight of 285.88 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 107750950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).