3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine

C17H19NO — CID 20555192

IUPAC3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
SMILESNCCCOc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C17H19NO/c18-13-6-14-19-17-10-5-4-9-16(17)12-11-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14,18H2/b12-11+
InChIKeyPXWURKILYHZAII-VAWYXSNFSA-N
MW253.35 g/mol
LogP3.58
Rot. Bonds6

About 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine

3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine (PubChem CID 20555192) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
PubChem CID20555192
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
SMILESNCCCOc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C17H19NO/c18-13-6-14-19-17-10-5-4-9-16(17)12-11-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14,18H2/b12-11+
InChIKeyPXWURKILYHZAII-VAWYXSNFSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine
CID 69088679
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
triethyl-[2-[2-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium iodide
CID 20838079
2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
CID 3055463
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine?
The IUPAC name of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine (CID 20555192) is 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine?
The canonical SMILES for 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine is NCCCOc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine?
The InChIKey is PXWURKILYHZAII-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H19NO/c18-13-6-14-19-17-10-5-4-9-16(17)12-11-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14,18H2/b12-11+.
What are the key properties of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine?
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine is sourced from PubChem (CID 20555192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).