N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine

C13H19NOS — CID 63807475

IUPACN-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCOCCSc1ccccc1CNC1CC1
InChIInChI=1S/C13H19NOS/c1-15-8-9-16-13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14H,6-10H2,1H3
InChIKeyGSLKPPHPABZEBM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.68
Rot. Bonds7

About N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 63807475) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID63807475
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCOCCSc1ccccc1CNC1CC1
InChIInChI=1S/C13H19NOS/c1-15-8-9-16-13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14H,6-10H2,1H3
InChIKeyGSLKPPHPABZEBM-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806580
N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine
CID 80640323
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
N-[[3-bromo-4-(3-methoxypropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114063131
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
3-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66126419
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009926
2-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]sulfanylethanol
CID 63809624
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine (CID 63807475) is N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine is COCCSc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is GSLKPPHPABZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-8-9-16-13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14H,6-10H2,1H3.
What are the key properties of N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine has a molecular weight of 237.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63807475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).