1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine

C13H21NO2 — CID 43457024

IUPAC1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
SMILESCCOCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C13H21NO2/c1-3-13(14)11-5-7-12(8-6-11)16-10-9-15-4-2/h5-8,13H,3-4,9-10,14H2,1-2H3
InChIKeyLRAADPRHEBPHSZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds7

About 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine

1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine (PubChem CID 43457024) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
PubChem CID43457024
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
SMILESCCOCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C13H21NO2/c1-3-13(14)11-5-7-12(8-6-11)16-10-9-15-4-2/h5-8,13H,3-4,9-10,14H2,1-2H3
InChIKeyLRAADPRHEBPHSZ-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
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

1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine (CID 43457024) is 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine is CCOCCOc1ccc(C(N)CC)cc1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine?
The InChIKey is LRAADPRHEBPHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-13(14)11-5-7-12(8-6-11)16-10-9-15-4-2/h5-8,13H,3-4,9-10,14H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine?
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 43457024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).