1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine

C14H23NO3 — CID 82353774

IUPAC1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine
SMILESCCOc1cccc(OCCOCC(N)CC)c1
InChIInChI=1S/C14H23NO3/c1-3-12(15)11-16-8-9-18-14-7-5-6-13(10-14)17-4-2/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3
InChIKeyIEMONPRXUHIRRT-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine

1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine (PubChem CID 82353774) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine
PubChem CID82353774
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine
SMILESCCOc1cccc(OCCOCC(N)CC)c1
InChIInChI=1S/C14H23NO3/c1-3-12(15)11-16-8-9-18-14-7-5-6-13(10-14)17-4-2/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3
InChIKeyIEMONPRXUHIRRT-UHFFFAOYSA-N
XLogP2.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 15651
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CID 2968864
1-(3-Methoxyphenoxy)-3-(methylamino)propan-2-ol
CID 3107873
3-(3-Phenoxyphenoxy)propan-1-amine;hydrochloride
CID 16737515
1,3-Dipropoxybenzene
CID 573684
1-[2-[2-(3-Ethoxyphenoxy)ethoxy]ethyl]pyrrolidine
CID 2296808
N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine
CID 2299290
N-{2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl}-3-methoxy-1-propanamine
CID 2869656
N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 44436051
N-[2-(3-methoxyphenoxy)propyl]acetamide
CID 49865149
N-[(2R)-2-(3-methoxyphenoxy)propyl]acetamide
CID 49865203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine (CID 82353774) is 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine is CCOc1cccc(OCCOCC(N)CC)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine?
The InChIKey is IEMONPRXUHIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-12(15)11-16-8-9-18-14-7-5-6-13(10-14)17-4-2/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine?
1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine is sourced from PubChem (CID 82353774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).