(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine

C16H16ClNO — CID 177465643

IUPAC(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C(\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(2)19-18-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12H,1-2H3/b18-16+
InChIKeyFQCNGPYUCSWHSO-FBMGVBCBSA-N
MW273.76 g/mol
LogP4.52
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine

(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine (PubChem CID 177465643) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine
PubChem CID177465643
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C(\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(2)19-18-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12H,1-2H3/b18-16+
InChIKeyFQCNGPYUCSWHSO-FBMGVBCBSA-N
XLogP4.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.52
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'}

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Related Compounds

1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine
CID 163288845
1-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-1-phenyl-N-propan-2-yloxymethanimine
CID 54181381
[(2E)-2-[(E)-[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium
CID 99078907
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958934
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749903
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine (CID 177465643) is (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine is CC(C)O/N=C(\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine?
The InChIKey is FQCNGPYUCSWHSO-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(2)19-18-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12H,1-2H3/b18-16+.
What are the key properties of (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine?
(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine has a molecular weight of 273.76 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine is sourced from PubChem (CID 177465643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).