N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine

C15H25NO2 — CID 2104080

IUPACN-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC)c(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-9-16-12-13-7-8-14(18-10-5-2)15(11-13)17-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyWQOGNCYFTVBIDL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds9

About N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine

N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine (PubChem CID 2104080) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
PubChem CID2104080
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC)c(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-9-16-12-13-7-8-14(18-10-5-2)15(11-13)17-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyWQOGNCYFTVBIDL-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
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-[(4-but-3-ynoxy-3-ethoxyphenyl)methyl]propan-1-amine
CID 60881839
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 60882028
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
4-[(3-ethoxy-4-propoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126744
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
4-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 29227542
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
N-[[3-ethoxy-4-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60882782
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine (CID 2104080) is N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OCCC)c(OCC)c1.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is WQOGNCYFTVBIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-9-16-12-13-7-8-14(18-10-5-2)15(11-13)17-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine?
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 2104080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).