N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine

C13H18ClN — CID 123980375

IUPACN-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine
SMILESCc1cc(Cl)cc(/C=N/C(C)(C)C)c1C
InChIInChI=1S/C13H18ClN/c1-9-6-12(14)7-11(10(9)2)8-15-13(3,4)5/h6-8H,1-5H3/b15-8+
InChIKeySQPLLRKERDIGQC-OVCLIPMQSA-N
MW223.75 g/mol
LogP4.17
Rot. Bonds1

About N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine

N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine (PubChem CID 123980375) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine
PubChem CID123980375
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine
SMILESCc1cc(Cl)cc(/C=N/C(C)(C)C)c1C
InChIInChI=1S/C13H18ClN/c1-9-6-12(14)7-11(10(9)2)8-15-13(3,4)5/h6-8H,1-5H3/b15-8+
InChIKeySQPLLRKERDIGQC-OVCLIPMQSA-N
XLogP4.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-tert-butyl-1-[5-(tert-butyliminomethyl)-3,4-dimethyl-1H-pyrrol-2-yl]methanimine
CID 136952967
1-tert-butyl-5-chloro-2-fluoro-3-methylbenzene
CID 142362659
N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine
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CID 89379549
CID 89379549
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442400
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
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CID 135635109
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine (CID 123980375) is N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine is Cc1cc(Cl)cc(/C=N/C(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine?
The InChIKey is SQPLLRKERDIGQC-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-6-12(14)7-11(10(9)2)8-15-13(3,4)5/h6-8H,1-5H3/b15-8+.
What are the key properties of N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine?
N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine has a molecular weight of 223.75 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 123980375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).