2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine

C15H23NS — CID 60732889

IUPAC2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CNCCC2CCCC2)cc1
InChIInChI=1S/C15H23NS/c1-17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-3-5-13/h6-9,13,16H,2-5,10-12H2,1H3
InChIKeyCJOXNSNSWRMIMM-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.08
Rot. Bonds6

About 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine

2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 60732889) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
PubChem CID60732889
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CNCCC2CCCC2)cc1
InChIInChI=1S/C15H23NS/c1-17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-3-5-13/h6-9,13,16H,2-5,10-12H2,1H3
InChIKeyCJOXNSNSWRMIMM-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
CID 115690285
4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
CID 63448419
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
CID 63450563
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
N-[[4-(cyclopentylmethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 63814246
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine (CID 60732889) is 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine is CSc1ccc(CNCCC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is CJOXNSNSWRMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-3-5-13/h6-9,13,16H,2-5,10-12H2,1H3.
What are the key properties of 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 60732889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).