N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine

C16H15Cl2NO — CID 22483399

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/C(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO/c1-11(13-7-5-8-14(17)16(13)18)19-10-12-6-3-4-9-15(12)20-2/h3-11H,1-2H3/b19-10+
InChIKeyPJBRTANVOCHMNE-VXLYETTFSA-N
MW308.21 g/mol
LogP5.18
Rot. Bonds4

About N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine

N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine (PubChem CID 22483399) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
PubChem CID22483399
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/C(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO/c1-11(13-7-5-8-14(17)16(13)18)19-10-12-6-3-4-9-15(12)20-2/h3-11H,1-2H3/b19-10+
InChIKeyPJBRTANVOCHMNE-VXLYETTFSA-N
XLogP5.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
CID 22483121
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
[(2,3-dichlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191174
methyl (2S)-2-[(2-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 11482060
1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine
CID 22483253
1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483201
cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
CID 135440453
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide
CID 134997042
1-chloro-2-methoxybenzene
CID 13011

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine (CID 22483399) is N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N/C(C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine?
The InChIKey is PJBRTANVOCHMNE-VXLYETTFSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11(13-7-5-8-14(17)16(13)18)19-10-12-6-3-4-9-15(12)20-2/h3-11H,1-2H3/b19-10+.
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine?
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine has a molecular weight of 308.21 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 22483399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).