N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine

C13H19NO2S — CID 115005293

IUPACN-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
SMILESCONCc1ccccc1OC1CCSCC1
InChIInChI=1S/C13H19NO2S/c1-15-14-10-11-4-2-3-5-13(11)16-12-6-8-17-9-7-12/h2-5,12,14H,6-10H2,1H3
InChIKeyFOLSNZYGJBNAAL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.61
Rot. Bonds5

About N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine

N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine (PubChem CID 115005293) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
PubChem CID115005293
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
SMILESCONCc1ccccc1OC1CCSCC1
InChIInChI=1S/C13H19NO2S/c1-15-14-10-11-4-2-3-5-13(11)16-12-6-8-17-9-7-12/h2-5,12,14H,6-10H2,1H3
InChIKeyFOLSNZYGJBNAAL-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,1-dioxothietan-3-yl)oxyphenyl]-N-methoxymethanamine
CID 117396419
1-[2-(thian-4-yloxy)phenyl]propan-2-amine
CID 115005189
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
methyl 2-(thian-4-yloxy)benzoate
CID 117053874
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
CID 117460990
2-(thian-4-yloxy)aniline
CID 14819600
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
2-[2-methoxy-3-(thian-4-yloxy)phenyl]acetonitrile
CID 117413381
N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine (CID 115005293) is N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine is CONCc1ccccc1OC1CCSCC1.
What is the InChIKey of N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine?
The InChIKey is FOLSNZYGJBNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-15-14-10-11-4-2-3-5-13(11)16-12-6-8-17-9-7-12/h2-5,12,14H,6-10H2,1H3.
What are the key properties of N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine?
N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine is sourced from PubChem (CID 115005293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).