N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C22H27BrN2 — CID 50860862

IUPACN-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3cccc(Br)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27BrN2/c1-6-25-21-10-15(2)17(11-20(21)16(3)13-22(25,4)5)14-24-19-9-7-8-18(23)12-19/h7-12,14,16H,6,13H2,1-5H3/b24-14+
InChIKeyBMDXAWADRYQFGR-ZVHZXABRSA-N
MW399.38 g/mol
LogP6.62
Rot. Bonds3

About N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50860862) has the molecular formula C22H27BrN2 and a molecular weight of 399.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50860862
Molecular FormulaC22H27BrN2
Molecular Weight399.38 g/mol
Exact Mass398.14
IUPAC NameN-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3cccc(Br)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27BrN2/c1-6-25-21-10-15(2)17(11-20(21)16(3)13-22(25,4)5)14-24-19-9-7-8-18(23)12-19/h7-12,14,16H,6,13H2,1-5H3/b24-14+
InChIKeyBMDXAWADRYQFGR-ZVHZXABRSA-N
XLogP6.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 56.62
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-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50860862) is N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CCN1c2cc(C)c(/C=N/c3cccc(Br)c3)cc2C(C)CC1(C)C.
What is the InChIKey of N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is BMDXAWADRYQFGR-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H27BrN2/c1-6-25-21-10-15(2)17(11-20(21)16(3)13-22(25,4)5)14-24-19-9-7-8-18(23)12-19/h7-12,14,16H,6,13H2,1-5H3/b24-14+.
What are the key properties of N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 399.38 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50860862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).