N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine

C19H22N2 — CID 136869903

IUPACN-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine
SMILESCc1ccc(/N=C2\CC(C)(C)Nc3ccccc32)cc1C
InChIInChI=1S/C19H22N2/c1-13-9-10-15(11-14(13)2)20-18-12-19(3,4)21-17-8-6-5-7-16(17)18/h5-11,21H,12H2,1-4H3/b20-18+
InChIKeyULKFBYYKEOMKOV-CZIZESTLSA-N
MW278.40 g/mol
LogP5.02
Rot. Bonds1

About N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine

N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine (PubChem CID 136869903) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine
PubChem CID136869903
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine
SMILESCc1ccc(/N=C2\CC(C)(C)Nc3ccccc32)cc1C
InChIInChI=1S/C19H22N2/c1-13-9-10-15(11-14(13)2)20-18-12-19(3,4)21-17-8-6-5-7-16(17)18/h5-11,21H,12H2,1-4H3/b20-18+
InChIKeyULKFBYYKEOMKOV-CZIZESTLSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-dihydroquinolin-4-imine
CID 139257919
1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine
CID 94849572
(3,4-dimethylphenyl)-methyldiazene;ethane
CID 91109897
2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline
CID 23433640
2,2,4-trimethyl-1H-quinoline;hydrochloride
CID 6602975
4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline
CID 23739373
N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
CID 3278465
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
methyl 3-butanoyl-4-(3,4-dimethylphenyl)imino-2-hydroxy-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 135423521
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135602956
6-chloro-2,2-dimethyl-1,3-dihydroindole
CID 84718600

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine (CID 136869903) is N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine is Cc1ccc(/N=C2\CC(C)(C)Nc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine?
The InChIKey is ULKFBYYKEOMKOV-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-9-10-15(11-14(13)2)20-18-12-19(3,4)21-17-8-6-5-7-16(17)18/h5-11,21H,12H2,1-4H3/b20-18+.
What are the key properties of N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine?
N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine has a molecular weight of 278.40 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroquinolin-4-imine is sourced from PubChem (CID 136869903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).