1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C16H25NO3 — CID 105035228

IUPAC1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccccc1OCCOC)C1CCC(C)O1
InChIInChI=1S/C16H25NO3/c1-12-8-9-15(20-12)16(17-2)13-6-4-5-7-14(13)19-11-10-18-3/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyJHYSICLFQUTYMS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 105035228) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID105035228
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccccc1OCCOC)C1CCC(C)O1
InChIInChI=1S/C16H25NO3/c1-12-8-9-15(20-12)16(17-2)13-6-4-5-7-14(13)19-11-10-18-3/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyJHYSICLFQUTYMS-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
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-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
CID 104660326
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 103547148
[(2,2-dimethylcyclopropyl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 107005838
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-2-yl)methyl]propan-1-amine
CID 104660569
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 104660418
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 105035228) is 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(c1ccccc1OCCOC)C1CCC(C)O1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is JHYSICLFQUTYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-8-9-15(20-12)16(17-2)13-6-4-5-7-14(13)19-11-10-18-3/h4-7,12,15-17H,8-11H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105035228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).