[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine

C14H21NO3S — CID 104660485

IUPAC[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine
SMILESCOCCOc1ccccc1C(N)C1CSCCO1
InChIInChI=1S/C14H21NO3S/c1-16-6-7-17-12-5-3-2-4-11(12)14(15)13-10-19-9-8-18-13/h2-5,13-14H,6-10,15H2,1H3
InChIKeyZRWLZTSPVHLDGF-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.84
Rot. Bonds6

About [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine

[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine (PubChem CID 104660485) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine
PubChem CID104660485
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine
SMILESCOCCOc1ccccc1C(N)C1CSCCO1
InChIInChI=1S/C14H21NO3S/c1-16-6-7-17-12-5-3-2-4-11(12)14(15)13-10-19-9-8-18-13/h2-5,13-14H,6-10,15H2,1H3
InChIKeyZRWLZTSPVHLDGF-UHFFFAOYSA-N
XLogP1.84
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dithian-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine
CID 104660478
[2-(2-methoxyethoxy)phenyl]-(4-methylmorpholin-2-yl)methanamine
CID 104660396
(5-chloro-2-methoxyphenyl)-(1,4-oxathian-2-yl)methanamine
CID 79963116
N-[(2-ethoxyphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 79968791
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
(2-ethoxyphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79664711
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 103547148
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine (CID 104660485) is [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine is COCCOc1ccccc1C(N)C1CSCCO1.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine?
The InChIKey is ZRWLZTSPVHLDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-16-6-7-17-12-5-3-2-4-11(12)14(15)13-10-19-9-8-18-13/h2-5,13-14H,6-10,15H2,1H3.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine?
[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine has a molecular weight of 283.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 104660485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).