N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine

C15H25NO2 — CID 65176507

IUPACN-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCCOCC
InChIInChI=1S/C15H25NO2/c1-3-10-16-13-14-8-5-6-9-15(14)18-12-7-11-17-4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3
InChIKeyHVIAGFXWPVSZJX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds10

About N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine

N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine (PubChem CID 65176507) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
PubChem CID65176507
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCCOCC
InChIInChI=1S/C15H25NO2/c1-3-10-16-13-14-8-5-6-9-15(14)18-12-7-11-17-4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3
InChIKeyHVIAGFXWPVSZJX-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 63190777
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine (CID 65176507) is N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCCCOCC.
What is the InChIKey of N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine?
The InChIKey is HVIAGFXWPVSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-10-16-13-14-8-5-6-9-15(14)18-12-7-11-17-4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine?
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65176507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).