ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine

C14H20N2O — CID 143103087

IUPACethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine
SMILESC=C.[H]/N=C/C(=C)OCC(N)Cc1ccccc1
InChIInChI=1S/C12H16N2O.C2H4/c1-10(8-13)15-9-12(14)7-11-5-3-2-4-6-11;1-2/h2-6,8,12-13H,1,7,9,14H2;1-2H2/b13-8+;
InChIKeyPXCQISNAXAFWIB-FNXZNAJJSA-N
MW232.33 g/mol
LogP2.54
Rot. Bonds6

About ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine

ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine (PubChem CID 143103087) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine.

Molecular Properties

Compound Nameethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine
PubChem CID143103087
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine
SMILESC=C.[H]/N=C/C(=C)OCC(N)Cc1ccccc1
InChIInChI=1S/C12H16N2O.C2H4/c1-10(8-13)15-9-12(14)7-11-5-3-2-4-6-11;1-2/h2-6,8,12-13H,1,7,9,14H2;1-2H2/b13-8+;
InChIKeyPXCQISNAXAFWIB-FNXZNAJJSA-N
XLogP2.54
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
ethene;3-phenylpropane-1,2-diamine
CID 175295695
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
(5S)-6-phenylhex-1-ene-2,5-diamine
CID 146226437
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614

Frequently Asked Questions

What is the IUPAC name of ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine?
The IUPAC name of ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine (CID 143103087) is ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine.
What is the SMILES notation for ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine?
The canonical SMILES for ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine is C=C.[H]/N=C/C(=C)OCC(N)Cc1ccccc1.
What is the InChIKey of ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine?
The InChIKey is PXCQISNAXAFWIB-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H16N2O.C2H4/c1-10(8-13)15-9-12(14)7-11-5-3-2-4-6-11;1-2/h2-6,8,12-13H,1,7,9,14H2;1-2H2/b13-8+;.
What are the key properties of ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine?
ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine is sourced from PubChem (CID 143103087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).