N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine

C17H27NO3 — CID 63556444

IUPACN-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)cc1COC1CCOC1
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-13-5-6-16(19-4)14(9-13)11-21-15-7-8-20-12-15/h5-6,9,15,18H,7-8,10-12H2,1-4H3
InChIKeyGDVIJWSEKVNNMQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds6

About N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63556444) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63556444
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)cc1COC1CCOC1
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-13-5-6-16(19-4)14(9-13)11-21-15-7-8-20-12-15/h5-6,9,15,18H,7-8,10-12H2,1-4H3
InChIKeyGDVIJWSEKVNNMQ-UHFFFAOYSA-N
XLogP2.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107457989
2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine
CID 105350921
1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
CID 63557286
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-[[4-methoxy-3-(propylsulfanylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 64614917
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 106929288
[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056604
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine (CID 63556444) is N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)cc1COC1CCOC1.
What is the InChIKey of N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GDVIJWSEKVNNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)18-10-13-5-6-16(19-4)14(9-13)11-21-15-7-8-20-12-15/h5-6,9,15,18H,7-8,10-12H2,1-4H3.
What are the key properties of N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63556444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).