N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine

C16H25NS — CID 114055413

IUPACN-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1SC1CCCCC1
InChIInChI=1S/C16H25NS/c1-3-17-12-14-11-13(2)9-10-16(14)18-15-7-5-4-6-8-15/h9-11,15,17H,3-8,12H2,1-2H3
InChIKeyQENXRTFQGTULMK-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.53
Rot. Bonds5

About N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine

N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine (PubChem CID 114055413) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
PubChem CID114055413
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1SC1CCCCC1
InChIInChI=1S/C16H25NS/c1-3-17-12-14-11-13(2)9-10-16(14)18-15-7-5-4-6-8-15/h9-11,15,17H,3-8,12H2,1-2H3
InChIKeyQENXRTFQGTULMK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]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

N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
CID 63813023
(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
CID 107931471
N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 82553373
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
CID 63809642
methyl 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanylacetate
CID 114055409
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 75446106
2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide
CID 114234766
N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63814545

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine (CID 114055413) is N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine is CCNCc1cc(C)ccc1SC1CCCCC1.
What is the InChIKey of N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine?
The InChIKey is QENXRTFQGTULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-17-12-14-11-13(2)9-10-16(14)18-15-7-5-4-6-8-15/h9-11,15,17H,3-8,12H2,1-2H3.
What are the key properties of N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine?
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 114055413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).