2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine

C17H29NO4 — CID 138496429

IUPAC2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCOCCCc1ccccc1
InChIInChI=1S/C17H29NO4/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,4,7-16,18H2
InChIKeyIITZWFODURHOBH-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.64
Rot. Bonds15

About 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 138496429) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID138496429
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCOCCCc1ccccc1
InChIInChI=1S/C17H29NO4/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,4,7-16,18H2
InChIKeyIITZWFODURHOBH-UHFFFAOYSA-N
XLogP1.64
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
1-[2-(2-aminoethoxy)ethoxy]-5-phenylpentan-2-amine
CID 153322921
8-(8-phenyloctoxy)octylbenzene
CID 56628536
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
benzene;3-phenylpropan-1-amine
CID 174865683
3-decoxypropylbenzene
CID 150065328
2-(3-fluoropropoxy)ethylbenzene
CID 177433926
3-phenylperoxypropylbenzene
CID 88815818
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 138496429) is 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCOCCCc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is IITZWFODURHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/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,4,7-16,18H2.
What are the key properties of 2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 311.42 g/mol, XLogP of 1.64, 15 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-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 138496429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).