1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol

C16H25NO2 — CID 12797749

IUPAC1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COC/C=C/c1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)17-12-15(18)13-19-11-7-10-14-8-5-4-6-9-14/h4-10,15,17-18H,11-13H2,1-3H3/b10-7+
InChIKeyIQDZQNBVZIPOTM-JXMROGBWSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds7

About 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol

1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol (PubChem CID 12797749) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
PubChem CID12797749
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COC/C=C/c1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)17-12-15(18)13-19-11-7-10-14-8-5-4-6-9-14/h4-10,15,17-18H,11-13H2,1-3H3/b10-7+
InChIKeyIQDZQNBVZIPOTM-JXMROGBWSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 79627884
5-[[3-(tert-butylamino)-2-hydroxypropoxy]methyl]benzene-1,3-diol
CID 15670646
2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 79627713
1-[(E)-3-phenylprop-2-enoxy]propan-2-yl acetate
CID 59099845
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 19744136

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol (CID 12797749) is 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol is CC(C)(C)NCC(O)COC/C=C/c1ccccc1.
What is the InChIKey of 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol?
The InChIKey is IQDZQNBVZIPOTM-JXMROGBWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)17-12-15(18)13-19-11-7-10-14-8-5-4-6-9-14/h4-10,15,17-18H,11-13H2,1-3H3/b10-7+.
What are the key properties of 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol?
1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol is sourced from PubChem (CID 12797749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).