2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol

C15H23NO2S — CID 66349318

IUPAC2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol
SMILESCOCCNCc1cccc(SC2CCCC2O)c1
InChIInChI=1S/C15H23NO2S/c1-18-9-8-16-11-12-4-2-5-13(10-12)19-15-7-3-6-14(15)17/h2,4-5,10,14-17H,3,6-9,11H2,1H3
InChIKeyUWFHYYHPIREPJC-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.43
Rot. Bonds7

About 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol

2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol (PubChem CID 66349318) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol
PubChem CID66349318
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol
SMILESCOCCNCc1cccc(SC2CCCC2O)c1
InChIInChI=1S/C15H23NO2S/c1-18-9-8-16-11-12-4-2-5-13(10-12)19-15-7-3-6-14(15)17/h2,4-5,10,14-17H,3,6-9,11H2,1H3
InChIKeyUWFHYYHPIREPJC-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3,5-dimethylcyclohexyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 66349500
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide
CID 66348346
2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
CID 66348144
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63055902
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 106931174
2-methoxy-N-[[3-(oxolan-3-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 66347560
N-[[3-(2-bicyclo[2.2.1]heptanylmethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 79562442
2-methoxy-N-[[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 66348148
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348149
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
N-[[3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 116524181

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol?
The IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol (CID 66349318) is 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol.
What is the SMILES notation for 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol?
The canonical SMILES for 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol is COCCNCc1cccc(SC2CCCC2O)c1.
What is the InChIKey of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol?
The InChIKey is UWFHYYHPIREPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-18-9-8-16-11-12-4-2-5-13(10-12)19-15-7-3-6-14(15)17/h2,4-5,10,14-17H,3,6-9,11H2,1H3.
What are the key properties of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol?
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol is sourced from PubChem (CID 66349318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).