N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine

C15H25NO2 — CID 43285146

IUPACN-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCOC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-16-13(4)14-6-8-15(9-7-14)18-11-10-17-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyAFQXYSBODBUQCT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds8

About N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine

N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine (PubChem CID 43285146) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
PubChem CID43285146
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCOC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-16-13(4)14-6-8-15(9-7-14)18-11-10-17-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyAFQXYSBODBUQCT-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
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-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine (CID 43285146) is N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine is CCNC(C)c1ccc(OCCOC(C)C)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
The InChIKey is AFQXYSBODBUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16-13(4)14-6-8-15(9-7-14)18-11-10-17-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 43285146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).