2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine

C14H23NO2S — CID 66348144

IUPAC2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
SMILESCOCCCSc1cccc(CNCCOC)c1
InChIInChI=1S/C14H23NO2S/c1-16-8-4-10-18-14-6-3-5-13(11-14)12-15-7-9-17-2/h3,5-6,11,15H,4,7-10,12H2,1-2H3
InChIKeyUYOIMKPHAOALPF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.55
Rot. Bonds10

About 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine

2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 66348144) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
PubChem CID66348144
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
SMILESCOCCCSc1cccc(CNCCOC)c1
InChIInChI=1S/C14H23NO2S/c1-16-8-4-10-18-14-6-3-5-13(11-14)12-15-7-9-17-2/h3,5-6,11,15H,4,7-10,12H2,1-2H3
InChIKeyUYOIMKPHAOALPF-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
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-ethylsulfonylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348142
2-methoxy-N-[[3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 116627082
3-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethylpropanamide
CID 66349314
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348149
2-methoxy-N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66348917
2-methoxy-N-[[3-(1-phenylethylsulfanyl)phenyl]methyl]ethanamine
CID 66347565
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 106931174
2-methoxy-N-[[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 66348148
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
N-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 66349113
2-methoxy-N-[[3-(oxolan-3-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 66347560

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine (CID 66348144) is 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine is COCCCSc1cccc(CNCCOC)c1.
What is the InChIKey of 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is UYOIMKPHAOALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-16-8-4-10-18-14-6-3-5-13(11-14)12-15-7-9-17-2/h3,5-6,11,15H,4,7-10,12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine?
2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66348144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).