2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine

C17H25NO4 — CID 142548631

IUPAC2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCOCC#Cc1ccccc1
InChIInChI=1S/C17H25NO4/c18-8-10-20-12-14-22-16-15-21-13-11-19-9-4-7-17-5-2-1-3-6-17/h1-3,5-6H,8-16,18H2
InChIKeyWJHWQABYKGQFBL-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.06
Rot. Bonds12

About 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 142548631) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID142548631
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCOCC#Cc1ccccc1
InChIInChI=1S/C17H25NO4/c18-8-10-20-12-14-22-16-15-21-13-11-19-9-4-7-17-5-2-1-3-6-17/h1-3,5-6H,8-16,18H2
InChIKeyWJHWQABYKGQFBL-UHFFFAOYSA-N
XLogP1.06
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]prop-1-ynyl]benzoate
CID 66586907
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
CID 62341837
3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene
CID 51355398
2-(3-phenylprop-2-ynoxymethyl)pyridine
CID 10998645
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
3-phenylprop-2-ynyl methylsulfanylformate
CID 121220624
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 115957965
6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 59819427
S-benzyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanethioate
CID 145373394

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 142548631) is 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCOCC#Cc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is WJHWQABYKGQFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c18-8-10-20-12-14-22-16-15-21-13-11-19-9-4-7-17-5-2-1-3-6-17/h1-3,5-6H,8-16,18H2.
What are the key properties of 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 307.39 g/mol, XLogP of 1.06, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 142548631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).