N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol

C21H27NO — CID 169105949

IUPACN-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol
SMILESCC(C)=N/C(=C(\C)c1ccccc1)c1ccccc1.CCCO
InChIInChI=1S/C18H19N.C3H8O/c1-14(2)19-18(17-12-8-5-9-13-17)15(3)16-10-6-4-7-11-16;1-2-3-4/h4-13H,1-3H3;4H,2-3H2,1H3/b18-15+;
InChIKeyNIOXCJLAFWKKED-FLNCGGNMSA-N
MW309.45 g/mol
LogP5.44
Rot. Bonds4

About N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol

N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol (PubChem CID 169105949) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol.

Molecular Properties

Compound NameN-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol
PubChem CID169105949
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol
SMILESCC(C)=N/C(=C(\C)c1ccccc1)c1ccccc1.CCCO
InChIInChI=1S/C18H19N.C3H8O/c1-14(2)19-18(17-12-8-5-9-13-17)15(3)16-10-6-4-7-11-16;1-2-3-4/h4-13H,1-3H3;4H,2-3H2,1H3/b18-15+;
InChIKeyNIOXCJLAFWKKED-FLNCGGNMSA-N
XLogP5.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine
CID 11831823
1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine
CID 13465423
(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
CID 134841892
N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine
CID 134842546
(2S)-4-benzylimino-4-phenylbutan-2-ol
CID 134966557
1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc
CID 162407549
benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc
CID 162410091
4-Benzyliminocyclohexan-1-ol
CID 19962580
(5-phenyl-3H-pyrrol-2-yl)methanol
CID 58804564
(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium
CID 59114757
2-methyl-4,5-diphenyl-3H-pyrrole
CID 59486548
N-[(E)-1,2-diphenylprop-1-enyl]-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 68171030

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol?
The IUPAC name of N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol (CID 169105949) is N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol.
What is the SMILES notation for N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol?
The canonical SMILES for N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol is CC(C)=N/C(=C(\C)c1ccccc1)c1ccccc1.CCCO.
What is the InChIKey of N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol?
The InChIKey is NIOXCJLAFWKKED-FLNCGGNMSA-N. The full InChI is InChI=1S/C18H19N.C3H8O/c1-14(2)19-18(17-12-8-5-9-13-17)15(3)16-10-6-4-7-11-16;1-2-3-4/h4-13H,1-3H3;4H,2-3H2,1H3/b18-15+;.
What are the key properties of N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol?
N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diphenylprop-1-enyl]propan-2-imine;propan-1-ol is sourced from PubChem (CID 169105949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).