1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol

C15H23NO2 — CID 11242136

IUPAC1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
SMILESC/C=C/c1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-9,12,14,16-17H,10-11H2,1-3H3/b7-4+
InChIKeyADGWGPMDZWOLKG-QPJJXVBHSA-N
MW249.35 g/mol
LogP2.46
Rot. Bonds7

About 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol

1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol (PubChem CID 11242136) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
PubChem CID11242136
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
SMILESC/C=C/c1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-9,12,14,16-17H,10-11H2,1-3H3/b7-4+
InChIKeyADGWGPMDZWOLKG-QPJJXVBHSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 66896080
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
CID 155122599
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol
CID 71374364
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol (CID 11242136) is 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol is C/C=C/c1ccccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol?
The InChIKey is ADGWGPMDZWOLKG-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-9,12,14,16-17H,10-11H2,1-3H3/b7-4+.
What are the key properties of 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol?
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol is sourced from PubChem (CID 11242136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).