N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine

C15H25NO3 — CID 62457882

IUPACN-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCOCCOC
InChIInChI=1S/C15H25NO3/c1-3-8-16-13-14-6-4-5-7-15(14)19-12-11-18-10-9-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyAINABDHPGVIDSR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.23
Rot. Bonds11

About N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine

N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62457882) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62457882
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCOCCOC
InChIInChI=1S/C15H25NO3/c1-3-8-16-13-14-6-4-5-7-15(14)19-12-11-18-10-9-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyAINABDHPGVIDSR-UHFFFAOYSA-N
XLogP2.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.23
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]heptan-1-amine
CID 54797439
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine (CID 62457882) is N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCCOCCOC.
What is the InChIKey of N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is AINABDHPGVIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-8-16-13-14-6-4-5-7-15(14)19-12-11-18-10-9-17-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.23, 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]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62457882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).