1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine

C14H18N2O2S — CID 104660548

IUPAC1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(c1cscn1)c1ccccc1OCCOC
InChIInChI=1S/C14H18N2O2S/c1-15-14(12-9-19-10-16-12)11-5-3-4-6-13(11)18-8-7-17-2/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyVFILCHFHBXUOIZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.48
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine

1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 104660548) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID104660548
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(c1cscn1)c1ccccc1OCCOC
InChIInChI=1S/C14H18N2O2S/c1-15-14(12-9-19-10-16-12)11-5-3-4-6-13(11)18-8-7-17-2/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyVFILCHFHBXUOIZ-UHFFFAOYSA-N
XLogP2.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659871
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 104660418
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186
[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]hydrazine
CID 105199390
[[2-(2-methoxyethoxy)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105203487
1-(2-ethoxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 63987696
1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 104660548) is 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine is CNC(c1cscn1)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is VFILCHFHBXUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-15-14(12-9-19-10-16-12)11-5-3-4-6-13(11)18-8-7-17-2/h3-6,9-10,14-15H,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 104660548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).