N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine

C17H29NO3 — CID 103409052

IUPACN-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCCOc1ccccc1CNCC(C)C
InChIInChI=1S/C17H29NO3/c1-15(2)13-18-14-16-7-4-5-8-17(16)21-10-6-9-20-12-11-19-3/h4-5,7-8,15,18H,6,9-14H2,1-3H3
InChIKeySNAMPZVEUHAIEF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.86
Rot. Bonds12

About N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 103409052) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID103409052
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCCOc1ccccc1CNCC(C)C
InChIInChI=1S/C17H29NO3/c1-15(2)13-18-14-16-7-4-5-8-17(16)21-10-6-9-20-12-11-19-3/h4-5,7-8,15,18H,6,9-14H2,1-3H3
InChIKeySNAMPZVEUHAIEF-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.86
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]methyl]-2-methylpropan-1-amine
CID 61222098
5-[2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63057328
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057663
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056496

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 103409052) is N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine is COCCOCCCOc1ccccc1CNCC(C)C.
What is the InChIKey of N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is SNAMPZVEUHAIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-15(2)13-18-14-16-7-4-5-8-17(16)21-10-6-9-20-12-11-19-3/h4-5,7-8,15,18H,6,9-14H2,1-3H3.
What are the key properties of N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103409052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).