N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine

C15H25NO3 — CID 62455428

IUPACN-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCOCCOCCOc1cccc(CNC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-13(2)16-12-14-5-4-6-15(11-14)19-10-9-18-8-7-17-3/h4-6,11,13,16H,7-10,12H2,1-3H3
InChIKeyFRSISGIBFFDCGG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.23
Rot. Bonds10

About N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine

N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62455428) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62455428
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCOCCOCCOc1cccc(CNC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-13(2)16-12-14-5-4-6-15(11-14)19-10-9-18-8-7-17-3/h4-6,11,13,16H,7-10,12H2,1-3H3
InChIKeyFRSISGIBFFDCGG-UHFFFAOYSA-N
XLogP2.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine (CID 62455428) is N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine is COCCOCCOc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is FRSISGIBFFDCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2)16-12-14-5-4-6-15(11-14)19-10-9-18-8-7-17-3/h4-6,11,13,16H,7-10,12H2,1-3H3.
What are the key properties of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine?
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62455428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).