N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine

C12H10ClNOS — CID 2803585

IUPACN-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
SMILESClc1ccc(CON=Cc2cccs2)cc1
InChIInChI=1S/C12H10ClNOS/c13-11-5-3-10(4-6-11)9-15-14-8-12-2-1-7-16-12/h1-8H,9H2
InChIKeyOKSGMZQWTNDHBM-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.95
Rot. Bonds4

About N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine

N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine (PubChem CID 2803585) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
PubChem CID2803585
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC NameN-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
SMILESClc1ccc(CON=Cc2cccs2)cc1
InChIInChI=1S/C12H10ClNOS/c13-11-5-3-10(4-6-11)9-15-14-8-12-2-1-7-16-12/h1-8H,9H2
InChIKeyOKSGMZQWTNDHBM-UHFFFAOYSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(E)-N-ethoxy-1-thiophen-2-ylmethanimine
CID 11344134
(Z)-N-[(4-chlorophenyl)methoxy]ethanimine
CID 97307953
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
CID 118480607
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine
CID 134122440
1-thiophen-2-yl-N-tribenzylsilyloxymethanimine
CID 91224164
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 78767027

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine (CID 2803585) is N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine is Clc1ccc(CON=Cc2cccs2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine?
The InChIKey is OKSGMZQWTNDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-11-5-3-10(4-6-11)9-15-14-8-12-2-1-7-16-12/h1-8H,9H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine?
N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine has a molecular weight of 251.74 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 2803585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).