2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine

C18H23NO2 — CID 43254415

IUPAC2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCOCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c19-12-10-17-6-8-18(9-7-17)21-15-14-20-13-11-16-4-2-1-3-5-16/h1-9H,10-15,19H2
InChIKeySSSVIKXSXYGKFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds9

About 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine

2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine (PubChem CID 43254415) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
PubChem CID43254415
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCOCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c19-12-10-17-6-8-18(9-7-17)21-15-14-20-13-11-16-4-2-1-3-5-16/h1-9H,10-15,19H2
InChIKeySSSVIKXSXYGKFL-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
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

2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 106665158
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine (CID 43254415) is 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine is NCCc1ccc(OCCOCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine?
The InChIKey is SSSVIKXSXYGKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c19-12-10-17-6-8-18(9-7-17)21-15-14-20-13-11-16-4-2-1-3-5-16/h1-9H,10-15,19H2.
What are the key properties of 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine?
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 43254415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).