N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine

C12H19NOS — CID 63806580

IUPACN-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
SMILESCCSc1ccccc1CNCCOC
InChIInChI=1S/C12H19NOS/c1-3-15-12-7-5-4-6-11(12)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyJNNVPLOQCVTLIA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.53
Rot. Bonds7

About N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine

N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine (PubChem CID 63806580) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
PubChem CID63806580
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
SMILESCCSc1ccccc1CNCCOC
InChIInChI=1S/C12H19NOS/c1-3-15-12-7-5-4-6-11(12)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyJNNVPLOQCVTLIA-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.53
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

2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
3-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66126419
N-[(4-chloro-2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114863829
N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806578
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
2-[2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807692
N-[[4-chloro-2-(2-fluorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 114863981
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 63059826
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63807968
5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63804810

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine (CID 63806580) is N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine is CCSc1ccccc1CNCCOC.
What is the InChIKey of N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is JNNVPLOQCVTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-15-12-7-5-4-6-11(12)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63806580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).