2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine

C9H8Cl3NO — CID 584090

IUPAC2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C/C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C9H8Cl3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyNUBYINQRVDTFPS-AWNIVKPZSA-N
MW252.53 g/mol
LogP3.77
Rot. Bonds2

About 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine

2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine (PubChem CID 584090) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
PubChem CID584090
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C/C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C9H8Cl3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyNUBYINQRVDTFPS-AWNIVKPZSA-N
XLogP3.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
1-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)methanimine
CID 927293
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
2-(4-methoxyphenyl)iminoacetate
CID 22600240
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
formyl chloride;1-methoxy-4-nitrosobenzene
CID 178153567
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
(4-methoxyphenyl)-methyldiazene
CID 20589170
(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101383718
2-(4-methoxyphenyl)iminoethanesulfonyl fluoride
CID 54377070

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine (CID 584090) is 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C/C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine?
The InChIKey is NUBYINQRVDTFPS-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-6H,1H3/b13-6+.
What are the key properties of 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine?
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine has a molecular weight of 252.53 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 584090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).