N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H24ClFN2 — CID 50859273

IUPACN-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1ccc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)cc1Cl
InChIInChI=1S/C21H24ClFN2/c1-13-6-7-16(9-18(13)22)24-12-15-8-17-14(2)11-21(3,4)25(5)20(17)10-19(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyPPPUVBBMYOKGEA-WYMPLXKRSA-N
MW358.89 g/mol
LogP6.26
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859273) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50859273
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1ccc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)cc1Cl
InChIInChI=1S/C21H24ClFN2/c1-13-6-7-16(9-18(13)22)24-12-15-8-17-14(2)11-21(3,4)25(5)20(17)10-19(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyPPPUVBBMYOKGEA-WYMPLXKRSA-N
XLogP6.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 56.26
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

Alpha-(3-chloro-P-tolylimino)-N,N-dimethyl-P-toluidine
CID 4610548
3-chloro-N-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-methylaniline
CID 681150
2-Chloro-4-[6-[4-(fluoromethyl)phenyl]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]benzenecarboximidamide
CID 143907452
2-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-3,4-dihydro-1H-isoquinoline
CID 169717401
2-[3-chloro-4-(trifluoromethyl)phenyl]-8-methyl-3,4-dihydro-1H-isoquinoline
CID 169722976
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propyl]-2-(2H-pyridin-3-ylidene)-3,4-dihydro-1H-quinazolin-4-amine
CID 173764426
3-chloro-N,N-bis(2-chloroethyl)-4-[(4-fluorophenyl)iminomethyl]aniline
CID 250869
1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine
CID 911275
N-(3-chloro-2-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3453339
N-(3-chloro-4-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 5139211
1-(2-Chloro-6-fluorobenzyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 22194542
1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194544

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859273) is N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is Cc1ccc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is PPPUVBBMYOKGEA-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H24ClFN2/c1-13-6-7-16(9-18(13)22)24-12-15-8-17-14(2)11-21(3,4)25(5)20(17)10-19(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 358.89 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).