(E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine

C19H17NO — CID 135073383

IUPAC(E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/OC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO/c1-16(2)15-20-21-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,15,19H,1H2,2H3/b20-15+
InChIKeyQZUWMIKPRTWTIJ-HMMYKYKNSA-N
MW275.35 g/mol
LogP4.36
Rot. Bonds4

About (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine

(E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine (PubChem CID 135073383) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine
PubChem CID135073383
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/OC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO/c1-16(2)15-20-21-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,15,19H,1H2,2H3/b20-15+
InChIKeyQZUWMIKPRTWTIJ-HMMYKYKNSA-N
XLogP4.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 134836998
(E)-1-(2-bromo-5-nitrophenyl)-N-[(1R)-1,3-diphenylprop-2-ynoxy]methanimine
CID 134837000
[1-(4-bromophenyl)-3-phenylprop-2-ynyl] acetate
CID 16752336
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
[1-(4-methylphenyl)-3-phenylprop-2-ynyl] carbamate
CID 175039383
lithium;benzaldehyde;ethynylbenzene;iodomethane;(1-methoxy-3-phenylprop-2-ynyl)benzene
CID 157077799
N,N-dimethyl-5-phenylpent-1-en-4-yn-3-amine
CID 11206216
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
1,3-diphenylprop-2-ynyl pyrrolidine-1-carboximidate
CID 86062422
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
(3R)-3-methyl-5-phenylpent-4-yn-2-one
CID 158222149
[5-methyl-3-[(E)-2-phenylethenyl]hex-5-en-1-ynyl]benzene
CID 101459398

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine?
The IUPAC name of (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine (CID 135073383) is (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine is C=C(C)/C=N/OC(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine?
The InChIKey is QZUWMIKPRTWTIJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H17NO/c1-16(2)15-20-21-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,15,19H,1H2,2H3/b20-15+.
What are the key properties of (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine?
(E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine has a molecular weight of 275.35 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-diphenylprop-2-ynoxy)-2-methylprop-2-en-1-imine is sourced from PubChem (CID 135073383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).