N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine

C17H29NO3 — CID 115954328

IUPACN-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCOc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C17H29NO3/c1-14(2)12-18-13-16-7-5-6-15(3)17(16)21-11-10-20-9-8-19-4/h5-7,14,18H,8-13H2,1-4H3
InChIKeyXZIRQHYNYZPJRM-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.78
Rot. Bonds11

About N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 115954328) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID115954328
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCOc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C17H29NO3/c1-14(2)12-18-13-16-7-5-6-15(3)17(16)21-11-10-20-9-8-19-4/h5-7,14,18H,8-13H2,1-4H3
InChIKeyXZIRQHYNYZPJRM-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.78
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-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
N-[(2-but-3-ynoxy-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 112610235
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 112610248
2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704768
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954772
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine (CID 115954328) is N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine is COCCOCCOc1c(C)cccc1CNCC(C)C.
What is the InChIKey of N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XZIRQHYNYZPJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-14(2)12-18-13-16-7-5-6-15(3)17(16)21-11-10-20-9-8-19-4/h5-7,14,18H,8-13H2,1-4H3.
What are the key properties of N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115954328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).