N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine

C16H25NO4 — CID 79370684

IUPACN-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H25NO4/c1-18-7-5-17-11-12-4-6-21-16(12)13-8-14(19-2)10-15(9-13)20-3/h8-10,12,16-17H,4-7,11H2,1-3H3
InChIKeyQODSNXLZZGHEJN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.02
Rot. Bonds8

About N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 79370684) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID79370684
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H25NO4/c1-18-7-5-17-11-12-4-6-21-16(12)13-8-14(19-2)10-15(9-13)20-3/h8-10,12,16-17H,4-7,11H2,1-3H3
InChIKeyQODSNXLZZGHEJN-UHFFFAOYSA-N
XLogP2.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.02
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

N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 81442199
N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114489396
N-[[2-(3,4-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365759
N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 128998233
2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine
CID 79365945
2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 79364978
N-[[2-(3-chloro-4-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 81156218
2-methoxy-N-[(2-pyridin-3-yloxan-3-yl)methyl]ethanamine
CID 79365670

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine (CID 79370684) is N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCOC1c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is QODSNXLZZGHEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-18-7-5-17-11-12-4-6-21-16(12)13-8-14(19-2)10-15(9-13)20-3/h8-10,12,16-17H,4-7,11H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79370684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).