N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine

C14H21NO — CID 71182661

IUPACN-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine
SMILESCOc1cc(C)c(/C=N/C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-13(16-6)11(2)7-12(10)9-15-14(3,4)5/h7-9H,1-6H3/b15-9+
InChIKeyLTHYHQWDTMEHHP-OQLLNIDSSA-N
MW219.33 g/mol
LogP3.53
Rot. Bonds2

About N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine

N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine (PubChem CID 71182661) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine
PubChem CID71182661
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine
SMILESCOc1cc(C)c(/C=N/C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-13(16-6)11(2)7-12(10)9-15-14(3,4)5/h7-9H,1-6H3/b15-9+
InChIKeyLTHYHQWDTMEHHP-OQLLNIDSSA-N
XLogP3.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.53
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

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
3-(4-methoxy-2,5-dimethylphenyl)prop-2-ene-1-thiol
CID 169455467
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
(E)-3-(4-methoxy-2,5-dimethylphenyl)prop-2-enoic acid
CID 6299093
(E)-4-(4-methoxy-2,5-dimethylphenyl)but-3-en-1-amine
CID 82077157
4-(4-methoxy-2,5-dimethylphenyl)but-3-ene-1-thiol
CID 170478636
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine
CID 123980375

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine (CID 71182661) is N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine is COc1cc(C)c(/C=N/C(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine?
The InChIKey is LTHYHQWDTMEHHP-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-13(16-6)11(2)7-12(10)9-15-14(3,4)5/h7-9H,1-6H3/b15-9+.
What are the key properties of N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine?
N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine has a molecular weight of 219.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine is sourced from PubChem (CID 71182661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).