N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine

C16H27NO2 — CID 106450535

IUPACN-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
SMILESCCCOCCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-10-18-11-12-19-16-8-6-15(7-9-16)13-14(3)17-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyWRGBVVXGXVYPEK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

About N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine

N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine (PubChem CID 106450535) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
PubChem CID106450535
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
SMILESCCCOCCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-10-18-11-12-19-16-8-6-15(7-9-16)13-14(3)17-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyWRGBVVXGXVYPEK-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
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-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
N-ethyl-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-2-amine
CID 115495045
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine (CID 106450535) is N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine is CCCOCCOc1ccc(CC(C)NCC)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine?
The InChIKey is WRGBVVXGXVYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-10-18-11-12-19-16-8-6-15(7-9-16)13-14(3)17-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine?
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 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-propoxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 106450535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).