N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine

C16H27NO2 — CID 104660013

IUPACN-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
SMILESCCCOCC(NCC)c1ccccc1OCCC
InChIInChI=1S/C16H27NO2/c1-4-11-18-13-15(17-6-3)14-9-7-8-10-16(14)19-12-5-2/h7-10,15,17H,4-6,11-13H2,1-3H3
InChIKeyOAVRZHBUFXXOBH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine

N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine (PubChem CID 104660013) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
PubChem CID104660013
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
SMILESCCCOCC(NCC)c1ccccc1OCCC
InChIInChI=1S/C16H27NO2/c1-4-11-18-13-15(17-6-3)14-9-7-8-10-16(14)19-12-5-2/h7-10,15,17H,4-6,11-13H2,1-3H3
InChIKeyOAVRZHBUFXXOBH-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103487528
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
1-(2-propoxyphenyl)ethanol
CID 43503976
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine (CID 104660013) is N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine is CCCOCC(NCC)c1ccccc1OCCC.
What is the InChIKey of N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine?
The InChIKey is OAVRZHBUFXXOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-11-18-13-15(17-6-3)14-9-7-8-10-16(14)19-12-5-2/h7-10,15,17H,4-6,11-13H2,1-3H3.
What are the key properties of N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine?
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104660013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).