(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine

C11H14ClNO — CID 118480607

IUPAC(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
SMILESCC(C)/C=N/OCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-9(2)7-13-14-8-10-3-5-11(12)6-4-10/h3-7,9H,8H2,1-2H3/b13-7+
InChIKeyIHSZKWPGSNPJHZ-NTUHNPAUSA-N
MW211.69 g/mol
LogP3.50
Rot. Bonds4

About (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine

(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine (PubChem CID 118480607) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
PubChem CID118480607
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
SMILESCC(C)/C=N/OCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-9(2)7-13-14-8-10-3-5-11(12)6-4-10/h3-7,9H,8H2,1-2H3/b13-7+
InChIKeyIHSZKWPGSNPJHZ-NTUHNPAUSA-N
XLogP3.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.50
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

(Z)-N-[(4-chlorophenyl)methoxy]ethanimine
CID 97307953
(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol
CID 10401649
(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
CID 58684892
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
CID 2803585
N-[(4-chlorophenyl)methoxy]piperidin-4-imine
CID 21259128
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
(E)-N-[(4-chlorophenyl)methoxy]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 10707121

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine?
The IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine (CID 118480607) is (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine is CC(C)/C=N/OCc1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine?
The InChIKey is IHSZKWPGSNPJHZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(2)7-13-14-8-10-3-5-11(12)6-4-10/h3-7,9H,8H2,1-2H3/b13-7+.
What are the key properties of (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine?
(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine has a molecular weight of 211.69 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine is sourced from PubChem (CID 118480607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).