1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol

C13H19NO2 — CID 118016842

IUPAC1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
SMILESC=CCC(O)COc1ccc(CCN)cc1
InChIInChI=1S/C13H19NO2/c1-2-3-12(15)10-16-13-6-4-11(5-7-13)8-9-14/h2,4-7,12,15H,1,3,8-10,14H2
InChIKeyIBDFETYEPPTCOQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.50
Rot. Bonds7

About 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol

1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol (PubChem CID 118016842) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
PubChem CID118016842
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
SMILESC=CCC(O)COc1ccc(CCN)cc1
InChIInChI=1S/C13H19NO2/c1-2-3-12(15)10-16-13-6-4-11(5-7-13)8-9-14/h2,4-7,12,15H,1,3,8-10,14H2
InChIKeyIBDFETYEPPTCOQ-UHFFFAOYSA-N
XLogP1.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 162126858
1-[4-(2-aminoethyl)phenoxy]-3-[4-(1,3-thiazolidin-5-ylidenemethyl)phenoxy]propan-2-ol
CID 70165034
formaldehyde;1-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 161327558
(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
CID 58583048
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79173371
(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol
CID 101492836

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol?
The IUPAC name of 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol (CID 118016842) is 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol is C=CCC(O)COc1ccc(CCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol?
The InChIKey is IBDFETYEPPTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-12(15)10-16-13-6-4-11(5-7-13)8-9-14/h2,4-7,12,15H,1,3,8-10,14H2.
What are the key properties of 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol?
1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol is sourced from PubChem (CID 118016842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).