N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H25FN2 — CID 50858542

IUPACN-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1cc(/N=C/c2ccc3c(c2)C(C)CC(C)(C)N3C)ccc1F
InChIInChI=1S/C21H25FN2/c1-14-10-17(7-8-19(14)22)23-13-16-6-9-20-18(11-16)15(2)12-21(3,4)24(20)5/h6-11,13,15H,12H2,1-5H3/b23-13+
InChIKeyHBSCRFMCSPTXGP-YDZHTSKRSA-N
MW324.44 g/mol
LogP5.61
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50858542) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50858542
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1cc(/N=C/c2ccc3c(c2)C(C)CC(C)(C)N3C)ccc1F
InChIInChI=1S/C21H25FN2/c1-14-10-17(7-8-19(14)22)23-13-16-6-9-20-18(11-16)15(2)12-21(3,4)24(20)5/h6-11,13,15H,12H2,1-5H3/b23-13+
InChIKeyHBSCRFMCSPTXGP-YDZHTSKRSA-N
XLogP5.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50858542) is N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is Cc1cc(/N=C/c2ccc3c(c2)C(C)CC(C)(C)N3C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is HBSCRFMCSPTXGP-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H25FN2/c1-14-10-17(7-8-19(14)22)23-13-16-6-9-20-18(11-16)15(2)12-21(3,4)24(20)5/h6-11,13,15H,12H2,1-5H3/b23-13+.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 324.44 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50858542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).