4-ethoxy-N-ethyl-1-phenoxybutan-2-amine

C14H23NO2 — CID 115001987

IUPAC4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
SMILESCCNC(CCOCC)COc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-15-13(10-11-16-4-2)12-17-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3
InChIKeyZDYWSJXMFKDXDT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.47
Rot. Bonds9

About 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine

4-ethoxy-N-ethyl-1-phenoxybutan-2-amine (PubChem CID 115001987) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
PubChem CID115001987
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
SMILESCCNC(CCOCC)COc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-15-13(10-11-16-4-2)12-17-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3
InChIKeyZDYWSJXMFKDXDT-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.47
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-ethyl-1-phenoxydecan-2-amine
CID 63416219
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine (CID 115001987) is 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine is CCNC(CCOCC)COc1ccccc1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine?
The InChIKey is ZDYWSJXMFKDXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-15-13(10-11-16-4-2)12-17-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine?
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-phenoxybutan-2-amine is sourced from PubChem (CID 115001987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).