[6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine

C20H21BrN2 — CID 68832119

IUPAC[6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine
SMILESCC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C20H21BrN2/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21)8-9-18(16)23-19/h3-9,11,13H,10,12,22H2,1-2H3
InChIKeyCUCNQPWZBCNGLQ-UHFFFAOYSA-N
MW369.31 g/mol
LogP5.32
Rot. Bonds4

About [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine

[6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine (PubChem CID 68832119) has the molecular formula C20H21BrN2 and a molecular weight of 369.31 g/mol. Its IUPAC name is [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine
PubChem CID68832119
Molecular FormulaC20H21BrN2
Molecular Weight369.31 g/mol
Exact Mass368.09
IUPAC Name[6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine
SMILESCC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C20H21BrN2/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21)8-9-18(16)23-19/h3-9,11,13H,10,12,22H2,1-2H3
InChIKeyCUCNQPWZBCNGLQ-UHFFFAOYSA-N
XLogP5.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine?
The IUPAC name of [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine (CID 68832119) is [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine.
What is the SMILES notation for [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine?
The canonical SMILES for [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine is CC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine?
The InChIKey is CUCNQPWZBCNGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21)8-9-18(16)23-19/h3-9,11,13H,10,12,22H2,1-2H3.
What are the key properties of [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine?
[6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine has a molecular weight of 369.31 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(2-methylpropyl)-4-phenylquinolin-3-yl]methanamine is sourced from PubChem (CID 68832119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).